ethyl 7-chloranyl-6-fluoranyl-2-(1-methyl-2-oxidanylidene-cyclohexyl)sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-2-(1-methyl-2-oxidanylidene-cyclohexyl)sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-2-(1-methyl-2-oxo-cyclohexyl)sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-2-[(1-methyl-2-oxocyclohexyl)thio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-2-(1-methyl-2-oxocyclohexyl)sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-keto-2-[(2-keto-1-methyl-cyclohexyl)thio]-1H-quinoline-3-carboxylic acid ethyl ester Formula: C19H19ClFNO4S MolecularWeight: 411.874863

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)Cl)SC3(CCCCC3=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC(=C(C=C2C1=O)F)Cl)SC3(CCCCC3=O)C

InChI

InChI=1S/C19H19ClFNO4S/c1-3-26-18(25)15-16(24)10-8-12(21)11(20)9-13(10)22-17(15)27-19(2)7-5-4-6-14(19)23/h8-9H,3-7H2,1-2H3,(H,22,24)