methyl 4-(3,4-dimethylphenyl)-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methylphenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[(4-methylphenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(3,4-dimethylphenyl)-2-[(4-methylbenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-(p-toluoylamino)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)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OC

InChI

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