diethyl 2-(6-azanyl-3,5-dicyano-4-methylsulfanyl-pyridin-1-ium-2-yl)sulfanyl-2-methyl-propanedioate

Systemtic Name: diethyl 2-(6-azanyl-3,5-dicyano-4-methylsulfanyl-pyridin-1-ium-2-yl)sulfanyl-2-methyl-propanedioate Openeye Name: diethyl 2-(6-amino-3,5-dicyano-4-methylsulfanyl-pyridin-1-ium-2-yl)sulfanyl-2-methyl-propanedioate CAS Name: 2-[[6-amino-3,5-dicyano-4-(methylthio)-2-pyridin-1-iumyl]thio]-2-methylpropanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-amino-3,5-dicyano-4-methylsulfanylpyridin-1-ium-2-yl)sulfanyl-2-methylpropanedioate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(methylthio)pyridin-1-ium-2-yl]thio]-2-methyl-malonic acid diethyl ester Formula: C16H19N4O4S2+ MolecularWeight: 395.47646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)OCC)SC1=C(C(=C(C(=[NH+]1)N)C#N)SC)C#N

Isomeric SMILES

CCOC(=O)C(C)(C(=O)OCC)SC1=C(C(=C(C(=[NH+]1)N)C#N)SC)C#N

InChI

InChI=1S/C16H18N4O4S2/c1-5-23-14(21)16(3,15(22)24-6-2)26-13-10(8-18)11(25-4)9(7-17)12(19)20-13/h5-6H2,1-4H3,(H2,19,20)/p+1