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

Systemtic Name: ethyl 3-[(E)-2-cyano-2-pyridin-1-ium-1-yl-1-sulfanyl-ethenyl]sulfanylpropanoate Openeye Name: ethyl 3-[(E)-2-cyano-2-pyridin-1-ium-1-yl-1-sulfanyl-vinyl]sulfanylpropanoate CAS Name: 3-[[(E)-2-cyano-1-mercapto-2-(1-pyridin-1-iumyl)ethenyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(E)-2-cyano-2-pyridin-1-ium-1-yl-1-sulfanylethenyl]sulfanylpropanoate Traditional Name: 3-[[(E)-2-cyano-1-mercapto-2-pyridin-1-ium-1-yl-vinyl]thio]propionic acid ethyl ester Formula: C13H15N2O2S2+ MolecularWeight: 295.4004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2S2/c1-2-17-12(16)6-9-19-13(18)11(10-14)15-7-4-3-5-8-15/h3-5,7-8H,2,6,9H2,1H3/p+1/b13-11+