ethyl 6-fluoranyl-4-oxidanylidene-2-sulfanyl-7-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-4-oxidanylidene-2-sulfanyl-7-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-4-oxo-2-sulfanyl-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylate CAS Name: 6-fluoro-2-mercapto-4-oxo-7-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-4-oxo-2-sulfanyl-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-2-mercapto-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H14F4N2O4S MolecularWeight: 454.394773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)C3=CC=C(C=C3)NC(=O)C(F)(F)F)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)C3=CC=C(C=C3)NC(=O)C(F)(F)F)S

InChI

InChI=1S/C20H14F4N2O4S/c1-2-30-18(28)15-16(27)12-7-13(21)11(8-14(12)26-17(15)31)9-3-5-10(6-4-9)25-19(29)20(22,23)24/h3-8H,2H2,1H3,(H,25,29)(H2,26,27,31)