ethyl 5,8-bis(fluoranyl)-4-sulfanylidene-1H-quinoline-3-carboxylate; trifluoromethylbenzene

Systemtic Name: ethyl 5,8-bis(fluoranyl)-4-sulfanylidene-1H-quinoline-3-carboxylate; trifluoromethylbenzene Openeye Name: ethyl 5,8-difluoro-4-thioxo-1H-quinoline-3-carboxylate; trifluoromethylbenzene CAS Name: 5,8-difluoro-4-sulfanylidene-1H-quinoline-3-carboxylic acid ethyl ester; trifluoromethylbenzene IUPAC Name: ethyl 5,8-difluoro-4-sulfanylidene-1H-quinoline-3-carboxylate; trifluoromethylbenzene Traditional Name: 5,8-difluoro-4-thioxo-1H-quinoline-3-carboxylic acid ethyl ester; trifluoromethylbenzene Formula: C19H14F5NO2S MolecularWeight: 415.376976

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CNC2=C(C=CC(=C2C1=S)F)F.C1=CC=C(C=C1)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CNC2=C(C=CC(=C2C1=S)F)F.C1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C12H9F2NO2S.C7H5F3/c1-2-17-12(16)6-5-15-10-8(14)4-3-7(13)9(10)11(6)18;8-7(9,10)6-4-2-1-3-5-6/h3-5H,2H2,1H3,(H,15,18);1-5H