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

Systemtic Name: ethyl 7-chloranyl-6-fluoranyl-4-oxidanylidene-2-(2-oxidanylidenebutylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-6-fluoro-4-oxo-2-(2-oxobutylsulfanyl)-1H-quinoline-3-carboxylate CAS Name: 7-chloro-6-fluoro-4-oxo-2-(2-oxobutylthio)-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-6-fluoro-4-oxo-2-(2-oxobutylsulfanyl)-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-6-fluoro-4-keto-2-(2-ketobutylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C16H15ClFNO4S MolecularWeight: 371.811003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CSC1=C(C(=O)C2=CC(=C(C=C2N1)Cl)F)C(=O)OCC

Isomeric SMILES

CCC(=O)CSC1=C(C(=O)C2=CC(=C(C=C2N1)Cl)F)C(=O)OCC

InChI

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