AC1LLLEW
ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
Also Known As: Oprea1_288702|Oprea1_306312|BAS 01022556|AH-262/08459022|ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{[(4-nitrophenyl)carbonyl]amino}-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|SR-01000454837-1|Ethyl 2-(4-nitrobenzamido)-7-oxo-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate|ethyl 2-({4-nitrobenzoyl}amino)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate|Ethyl 4,5,6,7-tetrahydro-2-[(4-nitrobenzoyl)amino]-7-oxobenzo[b]thiophene-3-carboxylate|ETHYL 2-[(4-NITROBENZOYL)AMINO]-7-OXO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE|ethyl 2-[(4-nitrophenyl)carbonylamino]-7-oxo-4,5,6-trihydrobenzo[b]thiophene-3 -carboxylate
| Molecular Formula | C18H16N2O6S |
|---|---|
| Molecular Weight | 388.0729 g/mol |
| LogP | 3.6043 |
| Topological Polar Surface Area | 115.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.0729 |
| Monoisotopic Mass | 388.0729 |
| Heavy Atoms | 27 |
| Complexity | 932.07367 |
Chemical Identifiers
| CAS Number | 329059-84-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2=O)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
AC1LLLEW (CAS 329059-84-9), with molecular formula C18H16N2O6S and molecular weight 388.0729 g/mol. IUPAC: ethyl 2-[(4-nitrobenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate.
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