5-(3-cyano-4-ethoxycarbonyl-6-thiophen-2-yl-pyridin-2-yl)sulfanyl-1,1,1-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-olate

Systemtic Name: 5-(3-cyano-4-ethoxycarbonyl-6-thiophen-2-yl-pyridin-2-yl)sulfanyl-1,1,1-tris(fluoranyl)-4-oxidanylidene-pent-2-en-2-olate Openeye Name: 5-[[3-cyano-4-ethoxycarbonyl-6-(2-thienyl)-2-pyridyl]sulfanyl]-1,1,1-trifluoro-4-oxo-pent-2-en-2-olate CAS Name: 5-[(3-cyano-4-ethoxycarbonyl-6-thiophen-2-yl-2-pyridinyl)thio]-1,1,1-trifluoro-4-oxo-2-penten-2-olate IUPAC Name: 5-(3-cyano-4-ethoxycarbonyl-6-thiophen-2-ylpyridin-2-yl)sulfanyl-1,1,1-trifluoro-4-oxopent-2-en-2-olate Traditional Name: 5-[[4-carbethoxy-3-cyano-6-(2-thienyl)-2-pyridyl]thio]-1,1,1-trifluoro-4-keto-pent-2-en-2-olate Formula: C18H12F3N2O4S2- MolecularWeight: 441.42409

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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/p-1