methyl 3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[2-(phenylmethylsulfanyl)ethanoylamino]propanoate Openeye Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylacetyl)amino]-3-hydroxypropanoate Traditional Name: 2-[[2-(benzylthio)acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C13H17NO4S MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

COC(=O)C(CO)NC(=O)CSCC1=CC=CC=C1

InChI

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