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

Systemtic Name: [(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Openeye Name: [(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] 3-(p-tolyl)thiophene-2-carboxylate CAS Name: 3-(4-methylphenyl)-2-thiophenecarboxylic acid [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl] 3-(4-methylphenyl)thiophene-2-carboxylate Traditional Name: 3-(p-tolyl)thiophene-2-carboxylic acid [(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H18ClNO3S MolecularWeight: 399.89052

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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(=CC=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClNO3S/c1-13-6-8-15(9-7-13)18-10-11-27-19(18)21(25)26-14(2)20(24)23-17-5-3-4-16(22)12-17/h3-12,14H,1-2H3,(H,23,24)/t14-/m1/s1