AC1M4OS7
ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|(E)-ethyl 2-(3-(4-chloro-3-nitrophenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS: 431985-22-7
| Molecular Formula | C20H19ClN2O5S |
|---|---|
| Molecular Weight | 434.0703 g/mol |
| LogP | 5.0171 |
| Topological Polar Surface Area | 98.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.0703 |
| Monoisotopic Mass | 434.0703 |
| Heavy Atoms | 29 |
| Complexity | 998.99805 |
Chemical Identifiers
| CAS Number | 431985-22-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
Product Overview
AC1M4OS7 (CAS 431985-22-7), with molecular formula C20H19ClN2O5S and molecular weight 434.0703 g/mol. IUPAC: ethyl 2-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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