5-cyano-3-ethoxycarbonyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridin-2-olate

Systemtic Name: 5-cyano-3-ethoxycarbonyl-6-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-pyridin-2-olate Openeye Name: 5-cyano-3-ethoxycarbonyl-6-(2-methoxy-2-oxo-ethyl)sulfanyl-pyridin-2-olate CAS Name: 5-cyano-3-ethoxycarbonyl-6-[(2-methoxy-2-oxoethyl)thio]-2-pyridinolate IUPAC Name: 5-cyano-3-ethoxycarbonyl-6-(2-methoxy-2-oxoethyl)sulfanylpyridin-2-olate Traditional Name: 3-carbethoxy-5-cyano-6-[(2-keto-2-methoxy-ethyl)thio]pyridin-2-olate Formula: C12H11N2O5S- MolecularWeight: 295.29114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)OC)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)OC)[O-]

InChI

InChI=1S/C12H12N2O5S/c1-3-19-12(17)8-4-7(5-13)11(14-10(8)16)20-6-9(15)18-2/h4H,3,6H2,1-2H3,(H,14,16)/p-1