8-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylate

Systemtic Name: 8-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: 8-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 8-(methylthio)-4-(trifluoromethyl)-3-quinolinecarboxylate IUPAC Name: 8-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 8-(methylthio)-4-(trifluoromethyl)quinoline-3-carboxylate Formula: C12H7F3NO2S- MolecularWeight: 286.24969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C(C(=CN=C21)C(=O)[O-])C(F)(F)F

Isomeric SMILES

CSC1=CC=CC2=C(C(=CN=C21)C(=O)[O-])C(F)(F)F

InChI

InChI=1S/C12H8F3NO2S/c1-19-8-4-2-3-6-9(12(13,14)15)7(11(17)18)5-16-10(6)8/h2-5H,1H3,(H,17,18)/p-1