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

Systemtic Name: ethyl 2-[(Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanyl-ethenyl]sulfanylethanoate Openeye Name: ethyl 2-[(Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanyl-vinyl]sulfanylacetate CAS Name: 2-[[(Z)-2-cyano-2-(3,5-dimethyl-1-pyridin-1-iumyl)-1-mercaptoethenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-sulfanylethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-2-cyano-2-(3,5-dimethylpyridin-1-ium-1-yl)-1-mercapto-vinyl]thio]acetic acid ethyl ester Formula: C14H17N2O2S2+ MolecularWeight: 309.42698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O2S2/c1-4-18-13(17)9-20-14(19)12(6-15)16-7-10(2)5-11(3)8-16/h5,7-8H,4,9H2,1-3H3/p+1/b14-12-