2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

Systemtic Name: 2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Openeye Name: 2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid CAS Name: 2-(methylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid IUPAC Name: 2-methylsulfanyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Traditional Name: 2-(methylthio)-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid Formula: C12H12F3NO2S MolecularWeight: 291.28939

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(CCCC2)C(=C1C(=O)O)C(F)(F)F

Isomeric SMILES

CSC1=NC2=C(CCCC2)C(=C1C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H12F3NO2S/c1-19-10-8(11(17)18)9(12(13,14)15)6-4-2-3-5-7(6)16-10/h2-5H2,1H3,(H,17,18)