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

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-1-(4-methylphenyl)-2-methylsulfanyl-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-2-methylsulfanyl-4-oxo-1-(p-tolyl)quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-1-(4-methylphenyl)-2-(methylthio)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-1-(4-methylphenyl)-2-methylsulfanyl-4-oxoquinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-2-(methylthio)-1-(p-tolyl)quinoline-3-carboxylic acid ethyl ester Formula: C20H16F3NO3S MolecularWeight: 407.40615

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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=CC=C(C=C3)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H16F3NO3S/c1-4-27-20(26)14-18(25)12-9-13(21)15(22)16(23)17(12)24(19(14)28-3)11-7-5-10(2)6-8-11/h5-9H,4H2,1-3H3