methyl 2-acetamido-3-(4-methylphenyl)sulfanyl-propanoate

Systemtic Name: methyl 2-acetamido-3-(4-methylphenyl)sulfanyl-propanoate Openeye Name: methyl 2-acetamido-3-(p-tolylsulfanyl)propanoate CAS Name: 2-acetamido-3-[(4-methylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 2-acetamido-3-(p-tolylthio)propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C13H17NO3S/c1-9-4-6-11(7-5-9)18-8-12(13(16)17-3)14-10(2)15/h4-7,12H,8H2,1-3H3,(H,14,15)