2-(2-pyridin-2-ylethylsulfanyl)octanoic acid

Systemtic Name: 2-(2-pyridin-2-ylethylsulfanyl)octanoic acid Openeye Name: 2-[2-(2-pyridyl)ethylsulfanyl]octanoic acid CAS Name: 2-[2-(2-pyridinyl)ethylthio]octanoic acid IUPAC Name: 2-(2-pyridin-2-ylethylsulfanyl)octanoic acid Traditional Name: 2-[2-(2-pyridyl)ethylthio]caprylic acid Formula: C15H23NO2S MolecularWeight: 281.41362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SCCC1=CC=CC=N1

Isomeric SMILES

CCCCCCC(C(=O)O)SCCC1=CC=CC=N1

InChI

InChI=1S/C15H23NO2S/c1-2-3-4-5-9-14(15(17)18)19-12-10-13-8-6-7-11-16-13/h6-8,11,14H,2-5,9-10,12H2,1H3,(H,17,18)