ethyl 6,7-bis(fluoranyl)-2-(1-fluoranyl-2-oxidanylidene-propyl)sulfanyl-4-oxidanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-2-(1-fluoranyl-2-oxidanylidene-propyl)sulfanyl-4-oxidanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6,7-difluoro-2-(1-fluoro-2-oxo-propyl)sulfanyl-4-hydroxy-quinolin-1-ium-3-carboxylate CAS Name: 6,7-difluoro-2-[(1-fluoro-2-oxopropyl)thio]-4-hydroxy-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-2-(1-fluoro-2-oxopropyl)sulfanyl-4-hydroxyquinolin-1-ium-3-carboxylate Traditional Name: 6,7-difluoro-2-[(1-fluoro-2-keto-propyl)thio]-4-hydroxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H13F3NO4S+ MolecularWeight: 360.32823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1SC(C(=O)C)F)F)F)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1SC(C(=O)C)F)F)F)O

InChI

InChI=1S/C15H12F3NO4S/c1-3-23-15(22)11-12(21)7-4-8(16)9(17)5-10(7)19-14(11)24-13(18)6(2)20/h4-5,13H,3H2,1-2H3,(H,19,21)/p+1