methyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate

Systemtic Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanyl-propanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-3-sulfanyl-propanoate CAS Name: (2S)-3-mercapto-2-(phenylmethoxycarbonylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(phenylmethoxycarbonylamino)-3-sulfanylpropanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-mercapto-propionic acid methyl ester Formula: C12H15NO4S MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@@H](CS)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C12H15NO4S/c1-16-11(14)10(8-18)13-12(15)17-7-9-5-3-2-4-6-9/h2-6,10,18H,7-8H2,1H3,(H,13,15)/t10-/m1/s1