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

Systemtic Name: ethyl 1-cyclopropyl-6,7,8-tris(fluoranyl)-4-oxidanylidene-2-(phenylsulfinyl)quinoline-3-carboxylate Openeye Name: ethyl 2-(benzenesulfinyl)-1-cyclopropyl-6,7,8-trifluoro-4-oxo-quinoline-3-carboxylate CAS Name: 2-(benzenesulfinyl)-1-cyclopropyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfinyl)-1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylate Traditional Name: 2-(benzenesulfinyl)-1-cyclopropyl-6,7,8-trifluoro-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H16F3NO4S MolecularWeight: 435.41625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)S(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3CC3)S(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16F3NO4S/c1-2-29-21(27)15-19(26)13-10-14(22)16(23)17(24)18(13)25(11-8-9-11)20(15)30(28)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3