6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate

Systemtic Name: 6,7,8-tris(fluoranyl)-4-oxidanylidene-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Openeye Name: 6,7,8-trifluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)-3-quinolinecarboxylate IUPAC Name: 6,7,8-trifluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Formula: C13H5F3N3O3S- MolecularWeight: 340.25731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C(=C(C(=C1F)F)F)N(C=C(C2=O)C(=O)[O-])CC3=NSN=C3

Isomeric SMILES

C1=C2C(=C(C(=C1F)F)F)N(C=C(C2=O)C(=O)[O-])CC3=NSN=C3

InChI

InChI=1S/C13H6F3N3O3S/c14-8-1-6-11(10(16)9(8)15)19(3-5-2-17-23-18-5)4-7(12(6)20)13(21)22/h1-2,4H,3H2,(H,21,22)/p-1