[(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate

Systemtic Name: [(2R)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(1R)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(1R)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)O[C@H](C)C(=O)NC3=CC=C(C=C3)C

InChI

InChI=1S/C22H21NO3S/c1-14-4-8-17(9-5-14)19-12-13-27-20(19)22(25)26-16(3)21(24)23-18-10-6-15(2)7-11-18/h4-13,16H,1-3H3,(H,23,24)/t16-/m1/s1