ethyl 6,7,8-tris(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-1-pyridin-4-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-1-pyridin-4-yl-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxo-1-(4-pyridyl)quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-2-(methylthio)-4-oxo-1-pyridin-4-yl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxo-1-pyridin-4-ylquinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-2-(methylthio)-1-(4-pyridyl)quinoline-3-carboxylic acid ethyl ester Formula: C18H13F3N2O3S MolecularWeight: 394.36763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC=NC=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3=CC=NC=C3)SC

InChI

InChI=1S/C18H13F3N2O3S/c1-3-26-18(25)12-16(24)10-8-11(19)13(20)14(21)15(10)23(17(12)27-2)9-4-6-22-7-5-9/h4-8H,3H2,1-2H3