ethyl 7-chloranyl-6-fluoranyl-4-oxidanyl-2-sulfanyl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-oxidanyl-2-sulfanyl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-4-hydroxy-2-sulfanyl-quinolin-1-ium-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-hydroxy-2-mercapto-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-hydroxy-2-sulfanylquinolin-1-ium-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-hydroxy-2-mercapto-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C12H10ClFNO3S+ MolecularWeight: 302.729103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1S)Cl)F)O

Isomeric SMILES

CCOC(=O)C1=C(C2=CC(=C(C=C2[NH+]=C1S)Cl)F)O

InChI

InChI=1S/C12H9ClFNO3S/c1-2-18-12(17)9-10(16)5-3-7(14)6(13)4-8(5)15-11(9)19/h3-4H,2H2,1H3,(H2,15,16,19)/p+1