2-acetamido-3-(3-methylsulfanylphenyl)propanoate

Systemtic Name: 2-acetamido-3-(3-methylsulfanylphenyl)propanoate Openeye Name: 2-acetamido-3-(3-methylsulfanylphenyl)propanoate CAS Name: 2-acetamido-3-[3-(methylthio)phenyl]propanoate IUPAC Name: 2-acetamido-3-(3-methylsulfanylphenyl)propanoate Traditional Name: 2-acetamido-3-[3-(methylthio)phenyl]propionate Formula: C12H14NO3S- MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=CC=C1)SC)C(=O)[O-]

Isomeric SMILES

CC(=O)NC(CC1=CC(=CC=C1)SC)C(=O)[O-]

InChI

InChI=1S/C12H15NO3S/c1-8(14)13-11(12(15)16)7-9-4-3-5-10(6-9)17-2/h3-6,11H,7H2,1-2H3,(H,13,14)(H,15,16)/p-1