diethyl 4-azanyl-5-cyano-6-methylsulfanyl-pyridin-1-ium-2,3-dicarboxylate

Systemtic Name: diethyl 4-azanyl-5-cyano-6-methylsulfanyl-pyridin-1-ium-2,3-dicarboxylate Openeye Name: diethyl 4-amino-5-cyano-6-methylsulfanyl-pyridin-1-ium-2,3-dicarboxylate CAS Name: 4-amino-5-cyano-6-(methylthio)pyridin-1-ium-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4-amino-5-cyano-6-methylsulfanylpyridin-1-ium-2,3-dicarboxylate Traditional Name: 4-amino-5-cyano-6-(methylthio)pyridin-1-ium-2,3-dicarboxylic acid diethyl ester Formula: C13H16N3O4S+ MolecularWeight: 310.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1N)C#N)SC)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1N)C#N)SC)C(=O)OCC

InChI

InChI=1S/C13H15N3O4S/c1-4-19-12(17)8-9(15)7(6-14)11(21-3)16-10(8)13(18)20-5-2/h4-5H2,1-3H3,(H2,15,16)/p+1