1-sulfanylethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: 1-sulfanylethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: 1-sulfanylethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid 1-mercaptoethyl ester IUPAC Name: 1-sulfanylethyl 7-chloro-6-fluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid 1-mercaptoethyl ester Formula: C12H9ClFNO3S MolecularWeight: 301.721163

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)Cl)S

Isomeric SMILES

CC(OC(=O)C1=CNC2=CC(=C(C=C2C1=O)F)Cl)S

InChI

InChI=1S/C12H9ClFNO3S/c1-5(19)18-12(17)7-4-15-10-3-8(13)9(14)2-6(10)11(7)16/h2-5,19H,1H3,(H,15,16)