(4-methylsulfanylphenyl)methyl 3-acetamidopropanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 3-acetamidopropanoate Openeye Name: (4-methylsulfanylphenyl)methyl 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [4-(methylthio)benzyl] ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC(=O)OCC1=CC=C(C=C1)SC

Isomeric SMILES

CC(=O)NCCC(=O)OCC1=CC=C(C=C1)SC

InChI

InChI=1S/C13H17NO3S/c1-10(15)14-8-7-13(16)17-9-11-3-5-12(18-2)6-4-11/h3-6H,7-9H2,1-2H3,(H,14,15)