6,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6,8-dimethyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6,8-dimethyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6,8-dimethyl-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C19H17NO2S MolecularWeight: 323.40878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)SC)C(=O)O)C

InChI

InChI=1S/C19H17NO2S/c1-11-8-12(2)18-15(9-11)16(19(21)22)10-17(20-18)13-4-6-14(23-3)7-5-13/h4-10H,1-3H3,(H,21,22)