ethyl 6,7,8-tris(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-1-pyrazin-2-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-2-methylsulfanyl-4-oxidanylidene-1-pyrazin-2-yl-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxo-1-pyrazin-2-yl-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-2-(methylthio)-4-oxo-1-(2-pyrazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxo-1-pyrazin-2-ylquinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-2-(methylthio)-1-pyrazin-2-yl-quinoline-3-carboxylic acid ethyl ester Formula: C17H12F3N3O3S MolecularWeight: 395.35569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3=NC=CN=C3)SC

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C(C(=C(C=C2C1=O)F)F)F)C3=NC=CN=C3)SC

InChI

InChI=1S/C17H12F3N3O3S/c1-3-26-17(25)11-15(24)8-6-9(18)12(19)13(20)14(8)23(16(11)27-2)10-7-21-4-5-22-10/h4-7H,3H2,1-2H3