ethyl 3-[(E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanyl-ethenyl]sulfanylpropanoate

Systemtic Name: ethyl 3-[(E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanyl-ethenyl]sulfanylpropanoate Openeye Name: ethyl 3-[(E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanyl-vinyl]sulfanylpropanoate CAS Name: 3-[[(E)-2-cyano-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-mercaptoethenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanylethenyl]sulfanylpropanoate Traditional Name: 3-[[(E)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-mercapto-vinyl]thio]propionic acid ethyl ester Formula: C15H19N2O2S2+ MolecularWeight: 323.45356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC(=C(C#N)[N+]1=CC(=CC(=C1)C)C)S

Isomeric SMILES

CCOC(=O)CCS/C(=C(\C#N)/[N+]1=CC(=CC(=C1)C)C)/S

InChI

InChI=1S/C15H18N2O2S2/c1-4-19-14(18)5-6-21-15(20)13(8-16)17-9-11(2)7-12(3)10-17/h7,9-10H,4-6H2,1-3H3/p+1/b15-13+