2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethanoate Openeye Name: 2-[[8-(trifluoromethyl)-4-quinolyl]sulfanyl]acetate CAS Name: 2-[[8-(trifluoromethyl)-4-quinolinyl]thio]acetate IUPAC Name: 2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylacetate Traditional Name: 2-[[8-(trifluoromethyl)-4-quinolyl]thio]acetate Formula: C12H7F3NO2S- MolecularWeight: 286.24969

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCC(=O)[O-]

InChI

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