ethyl 4-(4-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H17ClN2O5S MolecularWeight: 444.88808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O5S/c1-3-29-21(26)18-17(13-4-8-15(22)9-5-13)12(2)30-20(18)23-19(25)14-6-10-16(11-7-14)24(27)28/h4-11H,3H2,1-2H3,(H,23,25)