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

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-2-mercapto-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-2-mercapto-1H-quinoline-3-carboxylic acid ethyl ester Formula: C12H8F3NO3S MolecularWeight: 303.25703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8F3NO3S/c1-2-19-12(18)6-10(17)4-3-5(13)7(14)8(15)9(4)16-11(6)20/h3H,2H2,1H3,(H2,16,17,20)