2-(6-azanyl-3-cyano-5-ethoxycarbonyl-pyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: 2-(6-azanyl-3-cyano-5-ethoxycarbonyl-pyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: 2-(6-amino-3-cyano-5-ethoxycarbonyl-pyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(6-amino-3-cyano-5-ethoxycarbonyl-2-pyridin-1-iumyl)thio]acetate IUPAC Name: 2-(6-amino-3-cyano-5-ethoxycarbonylpyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(6-amino-5-carbethoxy-3-cyano-pyridin-1-ium-2-yl)thio]acetate Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-2-18-11(17)7-3-6(4-12)10(14-9(7)13)19-5-8(15)16/h3H,2,5H2,1H3,(H2,13,14)(H,15,16)