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

Systemtic Name: ethyl 6,7-bis(fluoranyl)-4-oxidanyl-2-(2-oxidanylidenepropylsulfanyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 2-acetonylsulfanyl-6,7-difluoro-4-hydroxy-quinolin-1-ium-3-carboxylate CAS Name: 6,7-difluoro-4-hydroxy-2-(2-oxopropylthio)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-4-hydroxy-2-(2-oxopropylsulfanyl)quinolin-1-ium-3-carboxylate Traditional Name: 2-(acetonylthio)-6,7-difluoro-4-hydroxy-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C15H14F2NO4S+ MolecularWeight: 342.337766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1SCC(=O)C)F)F)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1SCC(=O)C)F)F)O

InChI

InChI=1S/C15H13F2NO4S/c1-3-22-15(21)12-13(20)8-4-9(16)10(17)5-11(8)18-14(12)23-6-7(2)19/h4-5H,3,6H2,1-2H3,(H,18,20)/p+1