![4-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid structure](/static/products/3046/304666-08-8.webp)
4-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid
4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: Oprea1_092279|Oprea1_439248|NCGC00018712-01|NCGC00018712-02|4-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid|AP-263/13210752|4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid|SR-01000000672-2|3-[N-(3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)carbamoyl]propanoic acid|4-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-4-oxobutanoic acid|4-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid #|Butanedioic acid, monoamide, N-(4,5,6,7-tetrahydro-3-cyanobenzothien-2-yl)-
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.0725 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0725 |
| Monoisotopic Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 304666-08-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)CCC(=O)O)C#N |
| InChIKey | YBLBDQPMZNQLIG-UHFFFAOYSA-N |
Product Overview
4-[(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amino]-4-oxobutanoic acid (CAS 304666-08-8), with molecular formula C13H14N2O3S and molecular weight 278.0725 g/mol. IUPAC: 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.