[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-methyl-2-phenyl-thiazole-5-carboxylate CAS Name: 4-methyl-2-phenyl-5-thiazolecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-methyl-2-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-phenyl-thiazole-5-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(N=C(S2)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20N2O3S/c1-13-9-11-17(12-10-13)23-19(24)15(3)26-21(25)18-14(2)22-20(27-18)16-7-5-4-6-8-16/h4-12,15H,1-3H3,(H,23,24)/t15-/m0/s1