ethyl 4-sulfanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylate; trifluoromethylbenzene

Systemtic Name: ethyl 4-sulfanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylate; trifluoromethylbenzene Openeye Name: ethyl 4-thioxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylate; trifluoromethylbenzene CAS Name: 4-sulfanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester; trifluoromethylbenzene IUPAC Name: ethyl 4-sulfanylidene-6-(trifluoromethyl)-1H-quinoline-3-carboxylate; trifluoromethylbenzene Traditional Name: 4-thioxo-6-(trifluoromethyl)-1H-quinoline-3-carboxylic acid ethyl ester; trifluoromethylbenzene Formula: C20H15F6NO2S MolecularWeight: 447.394019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10F3NO2S.C7H5F3/c1-2-19-12(18)9-6-17-10-4-3-7(13(14,15)16)5-8(10)11(9)20;8-7(9,10)6-4-2-1-3-5-6/h3-6H,2H2,1H3,(H,17,20);1-5H