methyl 2-[3-(phenylmethoxycarbonylamino)propanoylsulfanyl]ethanoate

Systemtic Name: methyl 2-[3-(phenylmethoxycarbonylamino)propanoylsulfanyl]ethanoate Openeye Name: methyl 2-[3-(benzyloxycarbonylamino)propanoylsulfanyl]acetate CAS Name: 2-[[1-oxo-3-(phenylmethoxycarbonylamino)propyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(phenylmethoxycarbonylamino)propanoylsulfanyl]acetate Traditional Name: 2-[3-(benzyloxycarbonylamino)propanoylthio]acetic acid methyl ester Formula: C14H17NO5S MolecularWeight: 311.35348

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC(=O)CCNC(=O)OCC1=CC=CC=C1

Isomeric SMILES

COC(=O)CSC(=O)CCNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H17NO5S/c1-19-12(16)10-21-13(17)7-8-15-14(18)20-9-11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,15,18)