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

Systemtic Name: methyl 4-(3-chlorophenyl)-2-[(4-methoxy-3-nitro-phenyl)carbonylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(3-chlorophenyl)-2-[(4-methoxy-3-nitro-benzoyl)amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3-chlorophenyl)-2-[[(4-methoxy-3-nitrophenyl)-oxomethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-2-[(4-methoxy-3-nitrobenzoyl)amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(3-chlorophenyl)-2-[(4-methoxy-3-nitro-benzoyl)amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H17ClN2O6S MolecularWeight: 460.88748

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H17ClN2O6S/c1-11-17(12-5-4-6-14(22)9-12)18(21(26)30-3)20(31-11)23-19(25)13-7-8-16(29-2)15(10-13)24(27)28/h4-10H,1-3H3,(H,23,25)