ethyl 2-[(Z)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-sulfanyl-ethenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[(Z)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-sulfanyl-ethenyl]sulfanylethanoate Openeye Name: ethyl 2-[(Z)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-sulfanyl-vinyl]sulfanylacetate CAS Name: 2-[[(Z)-2-cyano-1-mercapto-2-(4-methyl-1-pyridin-1-iumyl)ethenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(Z)-2-cyano-2-(4-methylpyridin-1-ium-1-yl)-1-sulfanylethenyl]sulfanylacetate Traditional Name: 2-[[(Z)-2-cyano-1-mercapto-2-(4-methylpyridin-1-ium-1-yl)vinyl]thio]acetic acid ethyl ester Formula: C13H15N2O2S2+ MolecularWeight: 295.4004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2/c1-3-17-12(16)9-19-13(18)11(8-14)15-6-4-10(2)5-7-15/h4-7H,3,9H2,1-2H3/p+1/b13-11-