6,7-bis(fluoranyl)-1-(3-methyl-1,2-thiazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6,7-bis(fluoranyl)-1-(3-methyl-1,2-thiazol-4-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6,7-difluoro-1-(3-methylisothiazol-4-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6,7-difluoro-1-(3-methyl-4-isothiazolyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6,7-difluoro-1-(3-methyl-1,2-thiazol-4-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6,7-difluoro-4-keto-1-(3-methylisothiazol-4-yl)quinoline-3-carboxylic acid Formula: C14H8F2N2O3S MolecularWeight: 322.286726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC=C1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O

Isomeric SMILES

CC1=NSC=C1N2C=C(C(=O)C3=CC(=C(C=C32)F)F)C(=O)O

InChI

InChI=1S/C14H8F2N2O3S/c1-6-12(5-22-17-6)18-4-8(14(20)21)13(19)7-2-9(15)10(16)3-11(7)18/h2-5H,1H3,(H,20,21)