ethyl 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 4-thioxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylate CAS Name: 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-sulfanylidene-7-(trifluoromethyl)-1H-quinoline-3-carboxylate Traditional Name: 4-thioxo-7-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C13H10F3NO2S MolecularWeight: 301.28421

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C1=S)C=CC(=C2)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C1=S)C=CC(=C2)C(F)(F)F

InChI

InChI=1S/C13H10F3NO2S/c1-2-19-12(18)9-6-17-10-5-7(13(14,15)16)3-4-8(10)11(9)20/h3-6H,2H2,1H3,(H,17,20)