[2-(2-pyridin-4-ylethylsulfanyl)phenyl] ethanoate

Systemtic Name: [2-(2-pyridin-4-ylethylsulfanyl)phenyl] ethanoate Openeye Name: [2-[2-(4-pyridyl)ethylsulfanyl]phenyl] acetate CAS Name: acetic acid [2-(2-pyridin-4-ylethylthio)phenyl] ester IUPAC Name: [2-(2-pyridin-4-ylethylsulfanyl)phenyl] acetate Traditional Name: acetic acid [2-[2-(4-pyridyl)ethylthio]phenyl] ester Formula: C15H15NO2S MolecularWeight: 273.3501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1SCCC2=CC=NC=C2

Isomeric SMILES

CC(=O)OC1=CC=CC=C1SCCC2=CC=NC=C2

InChI

InChI=1S/C15H15NO2S/c1-12(17)18-14-4-2-3-5-15(14)19-11-8-13-6-9-16-10-7-13/h2-7,9-10H,8,11H2,1H3