2-(quinolin-8-ylmethylsulfanyl)propanoic acid

Systemtic Name: 2-(quinolin-8-ylmethylsulfanyl)propanoic acid Openeye Name: 2-(8-quinolylmethylsulfanyl)propanoic acid CAS Name: 2-(8-quinolinylmethylthio)propanoic acid IUPAC Name: 2-(quinolin-8-ylmethylsulfanyl)propanoic acid Traditional Name: 2-(8-quinolylmethylthio)propionic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC=CC2=C1N=CC=C2

Isomeric SMILES

CC(C(=O)O)SCC1=CC=CC2=C1N=CC=C2

InChI

InChI=1S/C13H13NO2S/c1-9(13(15)16)17-8-11-5-2-4-10-6-3-7-14-12(10)11/h2-7,9H,8H2,1H3,(H,15,16)