methyl 2-[(4-chlorophenyl)amino]-4-methyl-5-(4-methylphenyl)carbonyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)amino]-4-methyl-5-(4-methylphenyl)carbonyl-thiophene-3-carboxylate Openeye Name: methyl 2-(4-chloroanilino)-4-methyl-5-(4-methylbenzoyl)thiophene-3-carboxylate CAS Name: 2-(4-chloroanilino)-4-methyl-5-[(4-methylphenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chloroanilino)-4-methyl-5-(4-methylbenzoyl)thiophene-3-carboxylate Traditional Name: 2-(4-chloroanilino)-4-methyl-5-p-toluoyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=C(C=C3)Cl)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C(=C(S2)NC3=CC=C(C=C3)Cl)C(=O)OC)C

InChI

InChI=1S/C21H18ClNO3S/c1-12-4-6-14(7-5-12)18(24)19-13(2)17(21(25)26-3)20(27-19)23-16-10-8-15(22)9-11-16/h4-11,23H,1-3H3