ethyl 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylethanoate Openeye Name: ethyl 2-[[7-(trifluoromethyl)-4-quinolyl]sulfanyl]acetate CAS Name: 2-[[7-(trifluoromethyl)-4-quinolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(trifluoromethyl)quinolin-4-yl]sulfanylacetate Traditional Name: 2-[[7-(trifluoromethyl)-4-quinolyl]thio]acetic acid ethyl ester Formula: C14H12F3NO2S MolecularWeight: 315.31079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C=CC(=CC2=NC=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)CSC1=C2C=CC(=CC2=NC=C1)C(F)(F)F

InChI

InChI=1S/C14H12F3NO2S/c1-2-20-13(19)8-21-12-5-6-18-11-7-9(14(15,16)17)3-4-10(11)12/h3-7H,2,8H2,1H3