6-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 6-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 6-(methylthio)-4-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 6-methylsulfanyl-4-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 6-(methylthio)-4-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C12H8F3NO2S MolecularWeight: 287.25763

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C(=CN=C2C=C1)C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=CC2=C(C(=CN=C2C=C1)C(=O)O)C(F)(F)F

InChI

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