methyl 2-(methylsulfanylmethyl)-3-oxidanyl-3-pyridin-2-yl-propanoate

Systemtic Name: methyl 2-(methylsulfanylmethyl)-3-oxidanyl-3-pyridin-2-yl-propanoate Openeye Name: methyl 3-hydroxy-2-(methylsulfanylmethyl)-3-(2-pyridyl)propanoate CAS Name: 3-hydroxy-2-[(methylthio)methyl]-3-(2-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-(methylsulfanylmethyl)-3-pyridin-2-ylpropanoate Traditional Name: 3-hydroxy-2-[(methylthio)methyl]-3-(2-pyridyl)propionic acid methyl ester Formula: C11H15NO3S MolecularWeight: 241.3067

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSC)C(C1=CC=CC=N1)O

Isomeric SMILES

COC(=O)C(CSC)C(C1=CC=CC=N1)O

InChI

InChI=1S/C11H15NO3S/c1-15-11(14)8(7-16-2)10(13)9-5-3-4-6-12-9/h3-6,8,10,13H,7H2,1-2H3