[(2R)-1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 2-(4-methylphenyl)-1,3-thiazole-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OC(C)C(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)O[C@H](C)C(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C22H21NO3S/c1-13-5-8-17(9-6-13)21-23-19(12-27-21)22(25)26-16(4)20(24)18-10-7-14(2)15(3)11-18/h5-12,16H,1-4H3/t16-/m1/s1