ethyl 4-(2-methylpropyl)-2-[2-(2-nitrophenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2-methylpropyl)-2-[2-(2-nitrophenyl)carbonyloxyethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-isobutyl-2-[[2-(2-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2-methylpropyl)-2-[[2-[(2-nitrophenyl)-oxomethoxy]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-methylpropyl)-2-[[2-(2-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-isobutyl-2-[[2-(2-nitrobenzoyl)oxyacetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N2O7S MolecularWeight: 434.46288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1CC(C)C)NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O7S/c1-4-28-20(25)17-13(9-12(2)3)11-30-18(17)21-16(23)10-29-19(24)14-7-5-6-8-15(14)22(26)27/h5-8,11-12H,4,9-10H2,1-3H3,(H,21,23)