methyl 3-(pyridin-4-ylmethylsulfanyl)propanoate

Systemtic Name: methyl 3-(pyridin-4-ylmethylsulfanyl)propanoate Openeye Name: methyl 3-(4-pyridylmethylsulfanyl)propanoate CAS Name: 3-(pyridin-4-ylmethylthio)propanoic acid methyl ester IUPAC Name: methyl 3-(pyridin-4-ylmethylsulfanyl)propanoate Traditional Name: 3-(4-pyridylmethylthio)propionic acid methyl ester Formula: C10H13NO2S MolecularWeight: 211.28072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC1=CC=NC=C1

Isomeric SMILES

COC(=O)CCSCC1=CC=NC=C1

InChI

InChI=1S/C10H13NO2S/c1-13-10(12)4-7-14-8-9-2-5-11-6-3-9/h2-3,5-6H,4,7-8H2,1H3