[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (3S)-3-phenylbutanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (3S)-3-phenylbutanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)CC(C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=CS2)COC(=O)C[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-15-8-10-18(11-9-15)22-21-23-19(14-26-21)13-25-20(24)12-16(2)17-6-4-3-5-7-17/h3-11,14,16H,12-13H2,1-2H3,(H,22,23)/t16-/m0/s1