2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid

Systemtic Name: 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoic acid Openeye Name: 2-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]acetic acid CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]thio]acetic acid IUPAC Name: 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylacetic acid Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]thio]acetic acid Formula: C12H8F3NO2S MolecularWeight: 287.25763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=CN=C2C=C1C(F)(F)F)SCC(=O)O

InChI

InChI=1S/C12H8F3NO2S/c13-12(14,15)7-1-2-8-9(5-7)16-4-3-10(8)19-6-11(17)18/h1-5H,6H2,(H,17,18)