methyl 3-[2-(phenylcarbonylsulfanyl)ethylamino]propanoate

Systemtic Name: methyl 3-[2-(phenylcarbonylsulfanyl)ethylamino]propanoate Openeye Name: methyl 3-(2-benzoylsulfanylethylamino)propanoate CAS Name: 3-[2-(benzoylthio)ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(2-benzoylsulfanylethylamino)propanoate Traditional Name: 3-[2-(benzoylthio)ethylamino]propionic acid methyl ester Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNCCSC(=O)C1=CC=CC=C1

Isomeric SMILES

COC(=O)CCNCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C13H17NO3S/c1-17-12(15)7-8-14-9-10-18-13(16)11-5-3-2-4-6-11/h2-6,14H,7-10H2,1H3