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

Systemtic Name: ethyl 7-chloranyl-2-(2,2-diethoxyethylsulfanyl)-6-fluoranyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 7-chloro-2-(2,2-diethoxyethylsulfanyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-2-(2,2-diethoxyethylthio)-6-fluoro-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-(2,2-diethoxyethylsulfanyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-2-(2,2-diethoxyethylthio)-6-fluoro-4-keto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C18H21ClFNO5S MolecularWeight: 417.879443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClFNO5S/c1-4-24-14(25-5-2)9-27-17-15(18(23)26-6-3)16(22)10-7-12(20)11(19)8-13(10)21-17/h7-8,14H,4-6,9H2,1-3H3,(H,21,22)