8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate

Systemtic Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Openeye Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate CAS Name: 8-methyl-2-[4-(methylthio)phenyl]-4-quinolinecarboxylate IUPAC Name: 8-methyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylate Traditional Name: 8-methyl-2-[4-(methylthio)phenyl]cinchoninate Formula: C18H14NO2S- MolecularWeight: 308.37426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C(=O)[O-])C3=CC=C(C=C3)SC

InChI

InChI=1S/C18H15NO2S/c1-11-4-3-5-14-15(18(20)21)10-16(19-17(11)14)12-6-8-13(22-2)9-7-12/h3-10H,1-2H3,(H,20,21)/p-1