ethyl 8-bromanyl-6,7-bis(fluoranyl)-1-(4-fluorophenyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 8-bromanyl-6,7-bis(fluoranyl)-1-(4-fluorophenyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 8-bromo-6,7-difluoro-1-(4-fluorophenyl)-2-methylsulfanyl-4-oxo-quinoline-3-carboxylate CAS Name: 8-bromo-6,7-difluoro-1-(4-fluorophenyl)-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-6,7-difluoro-1-(4-fluorophenyl)-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 8-bromo-6,7-difluoro-1-(4-fluorophenyl)-4-keto-2-(methylthio)quinoline-3-carboxylic acid ethyl ester Formula: C19H13BrF3NO3S MolecularWeight: 472.27563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H13BrF3NO3S/c1-3-27-19(26)13-17(25)11-8-12(22)15(23)14(20)16(11)24(18(13)28-2)10-6-4-9(21)5-7-10/h4-8H,3H2,1-2H3