ethyl 2-(3-cyano-5,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate

Systemtic Name: ethyl 2-(3-cyano-5,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate Openeye Name: ethyl 2-(3-cyano-5,6-dimethyl-pyridin-1-ium-2-yl)sulfanylpropanoate CAS Name: 2-[(3-cyano-5,6-dimethyl-2-pyridin-1-iumyl)thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-(3-cyano-5,6-dimethylpyridin-1-ium-2-yl)sulfanylpropanoate Traditional Name: 2-[(3-cyano-5,6-dimethyl-pyridin-1-ium-2-yl)thio]propionic acid ethyl ester Formula: C13H17N2O2S+ MolecularWeight: 265.35128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)SC1=[NH+]C(=C(C=C1C#N)C)C

Isomeric SMILES

CCOC(=O)C(C)SC1=[NH+]C(=C(C=C1C#N)C)C

InChI

InChI=1S/C13H16N2O2S/c1-5-17-13(16)10(4)18-12-11(7-14)6-8(2)9(3)15-12/h6,10H,5H2,1-4H3/p+1