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

Systemtic Name: methyl 4-methyl-2-[(4-methylphenyl)amino]-5-(4-methylphenyl)carbonyl-thiophene-3-carboxylate Openeye Name: methyl 4-methyl-2-(4-methylanilino)-5-(4-methylbenzoyl)thiophene-3-carboxylate CAS Name: 4-methyl-2-(4-methylanilino)-5-[(4-methylphenyl)-oxomethyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(4-methylanilino)-5-(4-methylbenzoyl)thiophene-3-carboxylate Traditional Name: 4-methyl-2-(p-toluidino)-5-p-toluoyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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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)C)C(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S/c1-13-5-9-16(10-6-13)19(24)20-15(3)18(22(25)26-4)21(27-20)23-17-11-7-14(2)8-12-17/h5-12,23H,1-4H3