ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-ethyl-6,8-bis(fluoranyl)-7-[methylsulfonyl(phenyl)methyl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-ethyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6,8-difluoro-7-[methylsulfonyl(phenyl)methyl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6,8-difluoro-4-keto-7-[mesyl(phenyl)methyl]quinoline-3-carboxylic acid ethyl ester Formula: C22H21F2NO5S MolecularWeight: 449.467646

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(C3=CC=CC=C3)S(=O)(=O)C)F)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)C(C3=CC=CC=C3)S(=O)(=O)C)F)C(=O)OCC

InChI

InChI=1S/C22H21F2NO5S/c1-4-25-12-15(22(27)30-5-2)20(26)14-11-16(23)17(18(24)19(14)25)21(31(3,28)29)13-9-7-6-8-10-13/h6-12,21H,4-5H2,1-3H3