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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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