ethyl 5,6-bis(fluoranyl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 5,6-bis(fluoranyl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 5,6-difluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 5,6-difluoro-2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-difluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 5,6-difluoro-4-keto-2-mercapto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C12H9F2NO3S MolecularWeight: 285.266566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)F)F)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C(=C(C=C2)F)F)S

InChI

InChI=1S/C12H9F2NO3S/c1-2-18-12(17)8-10(16)7-6(15-11(8)19)4-3-5(13)9(7)14/h3-4H,2H2,1H3,(H2,15,16,19)