2-(3-cyano-5-ethoxycarbonyl-6-oxidanidyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-5-ethoxycarbonyl-6-oxidanidyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxido-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-5-ethoxycarbonyl-6-oxido-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-5-ethoxycarbonyl-6-oxidopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-carbethoxy-3-cyano-6-oxido-2-pyridyl)thio]acetate Formula: C11H8N2O5S-2 MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O5S/c1-2-18-11(17)7-3-6(4-12)10(13-9(7)16)19-5-8(14)15/h3H,2,5H2,1H3,(H,13,16)(H,14,15)/p-2