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

Systemtic Name: methyl 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylethanoate Openeye Name: methyl 2-[[2-(trifluoromethyl)-4-quinolyl]sulfanyl]acetate CAS Name: 2-[[2-(trifluoromethyl)-4-quinolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[2-(trifluoromethyl)quinolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(trifluoromethyl)-4-quinolyl]thio]acetic acid methyl ester Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

Isomeric SMILES

COC(=O)CSC1=CC(=NC2=CC=CC=C21)C(F)(F)F

InChI

InChI=1S/C13H10F3NO2S/c1-19-12(18)7-20-10-6-11(13(14,15)16)17-9-5-3-2-4-8(9)10/h2-6H,7H2,1H3