ethyl 6-fluoranyl-8-methoxy-4-oxidanylidene-2-sulfanyl-7-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-8-methoxy-4-oxidanylidene-2-sulfanyl-7-[4-[2,2,2-tris(fluoranyl)ethanoylamino]phenyl]-1H-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-8-methoxy-4-oxo-2-sulfanyl-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylate CAS Name: 6-fluoro-2-mercapto-8-methoxy-4-oxo-7-[4-[(2,2,2-trifluoro-1-oxoethyl)amino]phenyl]-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-8-methoxy-4-oxo-2-sulfanyl-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-2-mercapto-8-methoxy-7-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C21H16F4N2O5S MolecularWeight: 484.420753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F4N2O5S/c1-3-32-19(29)14-16(28)11-8-12(22)13(17(31-2)15(11)27-18(14)33)9-4-6-10(7-5-9)26-20(30)21(23,24)25/h4-8H,3H2,1-2H3,(H,26,30)(H2,27,28,33)