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

Systemtic Name: 6,7-bis(fluoranyl)-4-oxidanylidene-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Openeye Name: 6,7-difluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate CAS Name: 6,7-difluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)-3-quinolinecarboxylate IUPAC Name: 6,7-difluoro-4-oxo-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Traditional Name: 6,7-difluoro-4-keto-1-(1,2,5-thiadiazol-3-ylmethyl)quinoline-3-carboxylate Formula: C13H6F2N3O3S- MolecularWeight: 322.266846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H7F2N3O3S/c14-9-1-7-11(2-10(9)15)18(4-6-3-16-22-17-6)5-8(12(7)19)13(20)21/h1-3,5H,4H2,(H,20,21)/p-1