(2E)-3-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid
Structure Info
- Chemspace ID
- CSSB00132541546 (In-Stock Building Blocks)
- MFCD
- MFCD01353304
- IUPAC Name
- (2E)-3-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid
- Mol formula
- C18H23NO5S
- Mol weight
- 365 Da
- Catalog Number(s)
- AA030LZ7, AK-968/37173135, BY67231, CSC132541546, H49004, IVK/8068174, OSSL_182274, ST030NIR, STK400395, TX030N7N, UZI/8068174, Y6161543
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.9
- Heavy atoms count
- 25
- Rotatable bond count
- 6
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.5
- Polar surface area (Å)
- 93
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 2
![Chemical structure of (2E)-3-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid (C18H23NO5S) - CSSB00132541546](/st/structure/200/7ea82a5195d774704dab58d4da5b6c18/COC%2528%253DO%2529C1%253DC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529SC2%253DC1CCC%2528C2%2529C%2528C%2529%2528C%2529C.png "C18H23NO5S")
- Zoom the structure
- CSSB00132541546
Items Overall 3 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| 1st Scientific LLC | 14 days | United States To: | 90 | 10 mg | 245.30 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 50 mg | 288.20 | |
| 1st Scientific LLC | 14 days | United States To: | 90 | 100 mg | 317.90 | |
Description: (E)-4-((6-(tert-butyl)-3-(methoxycarbonyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid; CAS: 329795-27-9 | ||||||
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Substructure Analogs
![Chemical structure of (2E)-3-{[3-(methoxycarbonyl)-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid - CSSB00132834894](/st/structure/200/451873ffa8c7ca4ab31bb77ee7e7f3d8/CCC%2528C%2529%2528C%2529C1CCC2%253DC%2528C1%2529SC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529%253DC2C%2528%253DO%2529OC.png)
Similarity Analogs
![Chemical structure of (2E)-3-{[3-(methoxycarbonyl)-4H,5H,6H,7H,8H-cyclohepta[b]thiophen-2-yl]carbamoyl}prop-2-enoic acid - CSSB00132541576](/st/structure/200/20cdab0fcebf0cb453c37018b381067b/COC%2528%253DO%2529C1%253DC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529SC2%253DC1CCCCC2.png)
![Chemical structure of (2E)-3-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]prop-2-enoic acid - CSSB00132387299](/st/structure/200/732450bb053215c3c0545a3bade31585/CC%2528C%2529%2528C%2529C1CCC2%253DC%2528C1%2529SC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529%253DC2C%2523N.png)
![Chemical structure of (2E)-3-{[3-(ethoxycarbonyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid - CSSB00160875317](/st/structure/200/e8195355e68f8e6d8a3820cf6d6419fb/CCOC%2528%253DO%2529C1%253DC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529SC2%253DC1CCC%2528C%2529C2.png)
![Chemical structure of (2E)-3-{[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid - CSSB00160260310](/st/structure/200/01cd6e436600fc1e681699498cbdc957/CCC%2528C%2529%2528C%2529C1CCC2%253DC%2528C1%2529SC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529%253DC2C%2528N%2529%253DO.png)
![Chemical structure of (2E)-3-{[3-(ethoxycarbonyl)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}prop-2-enoic acid - CSSB00132541550](/st/structure/200/268ebf92526687bad14f8fea9f9a9639/CCOC%2528%253DO%2529C1%253DC%2528NC%2528%253DO%2529%255CC%253DC%255CC%2528O%2529%253DO%2529SC2%253DC1CCC%2528CC%2529C2.png)
![Chemical structure of 2-{[6-tert-butyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid - CSSB00121676735](/st/structure/200/8c1153967a45a5f881e78ff71ee01701/COC%2528%253DO%2529C1%253DC%2528NC%2528%253DO%2529C2CCCCC2C%2528O%2529%253DO%2529SC2%253DC1CCC%2528C2%2529C%2528C%2529%2528C%2529C.png)
