6,7-bis(fluoranyl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-4-oxidanylidene-1-(thietan-3-yl)quinoline-3-carboxylic acid Openeye Name: 6,7-difluoro-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylic acid CAS Name: 6,7-difluoro-4-oxo-1-(3-thietanyl)-3-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-4-oxo-1-(thietan-3-yl)quinoline-3-carboxylic acid Traditional Name: 6,7-difluoro-4-keto-1-(thietan-3-yl)quinoline-3-carboxylic acid Formula: C13H9F2NO3S MolecularWeight: 297.277266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H9F2NO3S/c14-9-1-7-11(2-10(9)15)16(6-4-20-5-6)3-8(12(7)17)13(18)19/h1-3,6H,4-5H2,(H,18,19)