methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[[(4-methyl-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-methyl-2-[(4-methyl-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H16ClN3O7S MolecularWeight: 489.88564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC(=CC=C3)Cl)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)NC2=C(C(=C(S2)C)C3=CC(=CC=C3)Cl)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O7S/c1-10-15(24(28)29)8-13(9-16(10)25(30)31)19(26)23-20-18(21(27)32-3)17(11(2)33-20)12-5-4-6-14(22)7-12/h4-9H,1-3H3,(H,23,26)