methyl 2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoate

Systemtic Name: methyl 2-(phenylmethoxycarbonylamino)-4-sulfanyl-butanoate Openeye Name: methyl 2-(benzyloxycarbonylamino)-4-sulfanyl-butanoate CAS Name: 4-mercapto-2-(phenylmethoxycarbonylamino)butanoic acid methyl ester IUPAC Name: methyl 2-(phenylmethoxycarbonylamino)-4-sulfanylbutanoate Traditional Name: 2-(benzyloxycarbonylamino)-4-mercapto-butyric acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO4S/c1-17-12(15)11(7-8-19)14-13(16)18-9-10-5-3-2-4-6-10/h2-6,11,19H,7-9H2,1H3,(H,14,16)