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

Systemtic Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-5-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-5-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H15ClN2O5S/c1-11-16(13-4-3-5-14(21)10-13)17(20(25)28-2)19(29-11)22-18(24)12-6-8-15(9-7-12)23(26)27/h3-10H,1-2H3,(H,22,24)