AC1MEOPC
4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Also Known As: ChemDiv3_001164|BAS 00675447|4-((3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid|4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid|(2E)-3-({3-CYANO-4H,5H,6H-CYCLOPENTA[B]THIOPHEN-2-YL}CARBAMOYL)PROP-2-ENOIC ACID|(E)-4-((3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino)-4-oxobut-2-enoic acid|(E)-4-[(3-Cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-2-butenoic acid|3-(3-Cyano-5,6-dihydro-4H-cyclopenta[ b ]thiophen-2-ylcarbamoyl)-acrylic acid|4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxo-but-2-enoic acid
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.0412 g/mol |
| LogP | 1.68778 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.0412 |
| Monoisotopic Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 580.87836 |
Chemical Identifiers
| CAS Number | 314282-77-4 |
|---|---|
| SMILES | C1CC2=C(C1)SC(=C2C#N)NC(=O)C=CC(=O)O |
Product Overview
AC1MEOPC (CAS 314282-77-4), with molecular formula C12H10N2O3S and molecular weight 262.0412 g/mol. IUPAC: 4-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid.
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