(4-methylsulfanylphenyl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate CAS Name: 3-acetamido-3-(4-chlorophenyl)propanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-acetamido-3-(4-chlorophenyl)propanoate Traditional Name: 3-acetamido-3-(4-chlorophenyl)propionic acid [4-(methylthio)benzyl] ester Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO3S/c1-13(22)21-18(15-5-7-16(20)8-6-15)11-19(23)24-12-14-3-9-17(25-2)10-4-14/h3-10,18H,11-12H2,1-2H3,(H,21,22)