ethyl 6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7-bis(fluoranyl)-8-methoxy-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7-difluoro-8-methoxy-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 6,7-difluoro-2-mercapto-8-methoxy-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-difluoro-8-methoxy-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 6,7-difluoro-4-keto-2-mercapto-8-methoxy-1H-quinoline-3-carboxylic acid ethyl ester Formula: C13H11F2NO4S MolecularWeight: 315.292546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)OC)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)OC)S

InChI

InChI=1S/C13H11F2NO4S/c1-3-20-13(18)7-10(17)5-4-6(14)8(15)11(19-2)9(5)16-12(7)21/h4H,3H2,1-2H3,(H2,16,17,21)