ethyl 3-cyano-6-thiophen-2-yl-2-[5,5,5-tris(fluoranyl)-4-oxidanyl-2-oxidanylidene-pent-3-enyl]sulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-thiophen-2-yl-2-[5,5,5-tris(fluoranyl)-4-oxidanyl-2-oxidanylidene-pent-3-enyl]sulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-(2-thienyl)-2-(5,5,5-trifluoro-4-hydroxy-2-oxo-pent-3-enyl)sulfanyl-pyridine-4-carboxylate CAS Name: 3-cyano-6-thiophen-2-yl-2-[(5,5,5-trifluoro-4-hydroxy-2-oxopent-3-enyl)thio]-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-thiophen-2-yl-2-(5,5,5-trifluoro-4-hydroxy-2-oxopent-3-enyl)sulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-(2-thienyl)-2-[(5,5,5-trifluoro-4-hydroxy-2-keto-pent-3-enyl)thio]isonicotinic acid ethyl ester Formula: C18H13F3N2O4S2 MolecularWeight: 442.43203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)SCC(=O)C=C(C(F)(F)F)O)C2=CC=CS2

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)SCC(=O)C=C(C(F)(F)F)O)C2=CC=CS2

InChI

InChI=1S/C18H13F3N2O4S2/c1-2-27-17(26)11-7-13(14-4-3-5-28-14)23-16(12(11)8-22)29-9-10(24)6-15(25)18(19,20)21/h3-7,25H,2,9H2,1H3