2-(2,8-dimethylquinolin-4-yl)sulfanylethanoic acid

Systemtic Name: 2-(2,8-dimethylquinolin-4-yl)sulfanylethanoic acid Openeye Name: 2-[(2,8-dimethyl-4-quinolyl)sulfanyl]acetic acid CAS Name: 2-[(2,8-dimethyl-4-quinolinyl)thio]acetic acid IUPAC Name: 2-(2,8-dimethylquinolin-4-yl)sulfanylacetic acid Traditional Name: 2-[(2,8-dimethyl-4-quinolyl)thio]acetic acid Formula: C13H13NO2S MolecularWeight: 247.31282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2SCC(=O)O)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2SCC(=O)O)C

InChI

InChI=1S/C13H13NO2S/c1-8-4-3-5-10-11(17-7-12(15)16)6-9(2)14-13(8)10/h3-6H,7H2,1-2H3,(H,15,16)