ethyl 7-ethanoyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate

Systemtic Name: ethyl 7-ethanoyl-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenylsulfanyl-quinoline-3-carboxylate Openeye Name: ethyl 7-acetyl-1-ethyl-6,8-difluoro-4-oxo-2-phenylsulfanyl-quinoline-3-carboxylate CAS Name: 7-acetyl-1-ethyl-6,8-difluoro-4-oxo-2-(phenylthio)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-acetyl-1-ethyl-6,8-difluoro-4-oxo-2-phenylsulfanylquinoline-3-carboxylate Traditional Name: 7-acetyl-1-ethyl-6,8-difluoro-4-keto-2-(phenylthio)quinoline-3-carboxylic acid ethyl ester Formula: C22H19F2NO4S MolecularWeight: 431.452366

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC3=CC=CC=C3)C(=O)OCC)F)C(=O)C)F

Isomeric SMILES

CCN1C2=C(C(=C(C=C2C(=O)C(=C1SC3=CC=CC=C3)C(=O)OCC)F)C(=O)C)F

InChI

InChI=1S/C22H19F2NO4S/c1-4-25-19-14(11-15(23)16(12(3)26)18(19)24)20(27)17(22(28)29-5-2)21(25)30-13-9-7-6-8-10-13/h6-11H,4-5H2,1-3H3