AC1LLLEW structure

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

CAS: 329059-84-9
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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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.
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