(phenylmethyl) 2-acetamido-3-sulfanyl-propanoate

Systemtic Name: (phenylmethyl) 2-acetamido-3-sulfanyl-propanoate Openeye Name: benzyl 2-acetamido-3-sulfanyl-propanoate CAS Name: 2-acetamido-3-mercaptopropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-3-sulfanylpropanoate Traditional Name: 2-acetamido-3-mercapto-propionic acid benzyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CS)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-11(8-17)12(15)16-7-10-5-3-2-4-6-10/h2-6,11,17H,7-8H2,1H3,(H,13,14)