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

Systemtic Name: ethyl 1-(3-chloranylpyridin-4-yl)-6,7,8-tris(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-(3-chloro-4-pyridyl)-6,7,8-trifluoro-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 1-(3-chloro-4-pyridinyl)-6,7,8-trifluoro-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-chloropyridin-4-yl)-6,7,8-trifluoro-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-(3-chloro-4-pyridyl)-6,7,8-trifluoro-4-keto-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C18H12ClF3N2O3S MolecularWeight: 428.81269

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=C(C=NC=C3)Cl)SC

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClF3N2O3S/c1-3-27-18(26)12-16(25)8-6-10(20)13(21)14(22)15(8)24(17(12)28-2)11-4-5-23-7-9(11)19/h4-7H,3H2,1-2H3