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

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (2S)-2-benzamidopropanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-14-8-10-17(11-9-14)23-21-24-18(13-28-21)12-27-20(26)15(2)22-19(25)16-6-4-3-5-7-16/h3-11,13,15H,12H2,1-2H3,(H,22,25)(H,23,24)/t15-/m0/s1