methyl 3-oxidanyl-2-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]propanoate

Systemtic Name: methyl 3-oxidanyl-2-[[2-(phenylmethylsulfanyl)pyridin-3-yl]carbonylamino]propanoate Openeye Name: methyl 2-[(2-benzylsulfanylpyridine-3-carbonyl)amino]-3-hydroxy-propanoate CAS Name: 3-hydroxy-2-[[oxo-[2-(phenylmethylthio)-3-pyridinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanylpyridine-3-carbonyl)amino]-3-hydroxypropanoate Traditional Name: 2-[[2-(benzylthio)nicotinoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CO)NC(=O)C1=C(N=CC=C1)SCC2=CC=CC=C2

InChI

InChI=1S/C17H18N2O4S/c1-23-17(22)14(10-20)19-15(21)13-8-5-9-18-16(13)24-11-12-6-3-2-4-7-12/h2-9,14,20H,10-11H2,1H3,(H,19,21)