ethyl 1-cyclopropyl-5,6,7,8-tetrakis(fluoranyl)-4-oxidanylidene-2-(phenylsulfinyl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-5,6,7,8-tetrakis(fluoranyl)-4-oxidanylidene-2-(phenylsulfinyl)quinoline-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinyl)-1-cyclopropyl-5,6,7,8-tetrafluoro-4-oxo-quinoline-3-carboxylate CAS Name: 2-(benzenesulfinyl)-1-cyclopropyl-5,6,7,8-tetrafluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinyl)-1-cyclopropyl-5,6,7,8-tetrafluoro-4-oxoquinoline-3-carboxylate Traditional Name: 2-(benzenesulfinyl)-1-cyclopropyl-5,6,7,8-tetrafluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H15F4NO4S MolecularWeight: 453.406713

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C1=O)C(=C(C(=C2F)F)F)F)C3CC3)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C1=O)C(=C(C(=C2F)F)F)F)C3CC3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H15F4NO4S/c1-2-30-21(28)13-19(27)12-14(22)15(23)16(24)17(25)18(12)26(10-8-9-10)20(13)31(29)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3