(4-methylsulfanylphenyl)methyl (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: (4-methylsulfanylphenyl)methyl (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [4-(methylthio)benzyl] ester Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC=C(C=C1)SC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC1=CC=C(C=C1)SC)C2=CC=CC=C2

InChI

InChI=1S/C19H21NO3S/c1-14(21)20-18(16-6-4-3-5-7-16)12-19(22)23-13-15-8-10-17(24-2)11-9-15/h3-11,18H,12-13H2,1-2H3,(H,20,21)/t18-/m1/s1