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

Systemtic Name: ethyl 2-(methylsulfanylmethyl)-3-oxidanyl-3-pyridin-3-yl-propanoate Openeye Name: ethyl 3-hydroxy-2-(methylsulfanylmethyl)-3-(3-pyridyl)propanoate CAS Name: 3-hydroxy-2-[(methylthio)methyl]-3-(3-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-hydroxy-2-(methylsulfanylmethyl)-3-pyridin-3-ylpropanoate Traditional Name: 3-hydroxy-2-[(methylthio)methyl]-3-(3-pyridyl)propionic acid ethyl ester Formula: C12H17NO3S MolecularWeight: 255.33328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSC)C(C1=CN=CC=C1)O

Isomeric SMILES

CCOC(=O)C(CSC)C(C1=CN=CC=C1)O

InChI

InChI=1S/C12H17NO3S/c1-3-16-12(15)10(8-17-2)11(14)9-5-4-6-13-7-9/h4-7,10-11,14H,3,8H2,1-2H3