ethyl 2-azanyl-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 2-azanyl-5-cyano-6-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyridin-1-ium-3-carboxylate Openeye Name: ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxo-ethyl)sulfanyl-pyridin-1-ium-3-carboxylate CAS Name: 2-amino-5-cyano-6-[(2-ethoxy-2-oxoethyl)thio]-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanylpyridin-1-ium-3-carboxylate Traditional Name: 2-amino-5-cyano-6-[(2-ethoxy-2-keto-ethyl)thio]pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C13H16N3O4S+ MolecularWeight: 310.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=[NH+]C(=C(C=C1C#N)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)CSC1=[NH+]C(=C(C=C1C#N)C(=O)OCC)N

InChI

InChI=1S/C13H15N3O4S/c1-3-19-10(17)7-21-12-8(6-14)5-9(11(15)16-12)13(18)20-4-2/h5H,3-4,7H2,1-2H3,(H2,15,16)/p+1