[2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(4-methylanilino)thiazol-4-yl]methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(4-methylanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(4-methylanilino)-1,3-thiazol-4-yl]methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(p-toluidino)thiazol-4-yl]methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-15-8-10-18(11-9-15)24-22-25-19(14-29-22)13-28-21(27)12-20(23-16(2)26)17-6-4-3-5-7-17/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/m1/s1