ethyl 4-(4-chlorophenyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-[(4-methyl-3-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-[(4-methyl-3-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-[(4-methyl-3-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-[(4-methyl-3-nitro-benzoyl)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)NC(=O)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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