ethyl 7-chloranyl-6-fluoranyl-4-oxidanyl-2-(3-oxidanylidenebutan-2-ylsulfanyl)quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-oxidanyl-2-(3-oxidanylidenebutan-2-ylsulfanyl)quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-4-hydroxy-2-(1-methyl-2-oxo-propyl)sulfanyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-hydroxy-2-(3-oxobutan-2-ylthio)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-hydroxy-2-(3-oxobutan-2-ylsulfanyl)quinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-hydroxy-2-[(2-keto-1-methyl-propyl)thio]quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H16ClFNO4S+ MolecularWeight: 372.818943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClFNO4S/c1-4-23-16(22)13-14(21)9-5-11(18)10(17)6-12(9)19-15(13)24-8(3)7(2)20/h5-6,8H,4H2,1-3H3,(H,19,21)/p+1