6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylate

Systemtic Name: 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylate Openeye Name: 6,7,8-trifluoro-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-4-oxo-1-(3-thietanyl)-3-quinolinecarboxylate IUPAC Name: 6,7,8-trifluoro-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-1-(thietan-3-yl)quinoline-3-carboxylate Formula: C13H7F3NO3S- MolecularWeight: 314.25979

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CS1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)[O-]

Isomeric SMILES

C1C(CS1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)[O-]

InChI

InChI=1S/C13H8F3NO3S/c14-8-1-6-11(10(16)9(8)15)17(5-3-21-4-5)2-7(12(6)18)13(19)20/h1-2,5H,3-4H2,(H,19,20)/p-1