ethyl 3-(phenylcarbonylsulfanyl)-3-pyridin-2-yl-propanoate

Systemtic Name: ethyl 3-(phenylcarbonylsulfanyl)-3-pyridin-2-yl-propanoate Openeye Name: ethyl 3-benzoylsulfanyl-3-(2-pyridyl)propanoate CAS Name: 3-(benzoylthio)-3-(2-pyridinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzoylsulfanyl-3-pyridin-2-ylpropanoate Traditional Name: 3-(benzoylthio)-3-(2-pyridyl)propionic acid ethyl ester Formula: C17H17NO3S MolecularWeight: 315.38678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC=N1)SC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC=N1)SC(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H17NO3S/c1-2-21-16(19)12-15(14-10-6-7-11-18-14)22-17(20)13-8-4-3-5-9-13/h3-11,15H,2,12H2,1H3