ethyl 6,7,8-tris(fluoranyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 6,7,8-tris(fluoranyl)-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: ethyl 6,7,8-trifluoro-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6,7,8-trifluoro-2-[(4-methoxyphenyl)methylthio]-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7,8-trifluoro-2-[(4-methoxyphenyl)methylsulfanyl]-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6,7,8-trifluoro-4-keto-2-(p-anisylthio)-1H-quinoline-3-carboxylic acid ethyl ester Formula: C20H16F3NO4S MolecularWeight: 423.40555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)F)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C(=C(C=C2C1=O)F)F)F)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H16F3NO4S/c1-3-28-20(26)14-18(25)12-8-13(21)15(22)16(23)17(12)24-19(14)29-9-10-4-6-11(27-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,24,25)