ethyl 8-chloranyl-6,7-bis(fluoranyl)-1-(4-fluorophenyl)-1-methylsulfanyl-4-oxidanylidene-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 8-chloranyl-6,7-bis(fluoranyl)-1-(4-fluorophenyl)-1-methylsulfanyl-4-oxidanylidene-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 8-chloro-6,7-difluoro-1-(4-fluorophenyl)-1-methylsulfanyl-4-oxo-quinolin-1-ium-3-carboxylate CAS Name: 8-chloro-6,7-difluoro-1-(4-fluorophenyl)-1-(methylthio)-4-oxo-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-6,7-difluoro-1-(4-fluorophenyl)-1-methylsulfanyl-4-oxoquinolin-1-ium-3-carboxylate Traditional Name: 8-chloro-6,7-difluoro-1-(4-fluorophenyl)-4-keto-1-(methylthio)quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C19H14ClF3NO3S+ MolecularWeight: 428.83257

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[N+](C2=C(C(=C(C=C2C1=O)F)F)Cl)(C3=CC=C(C=C3)F)SC

Isomeric SMILES

CCOC(=O)C1=C[N+](C2=C(C(=C(C=C2C1=O)F)F)Cl)(C3=CC=C(C=C3)F)SC

InChI

InChI=1S/C19H14ClF3NO3S/c1-3-27-19(26)13-9-24(28-2,11-6-4-10(21)5-7-11)17-12(18(13)25)8-14(22)16(23)15(17)20/h4-9H,3H2,1-2H3/q+1