ethyl 3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoate

Systemtic Name: ethyl 3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoate Openeye Name: ethyl 3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanyl-prop-2-enoate CAS Name: 3-(ethylthio)-3-mercapto-2-(4-methyl-1-pyridin-1-iumyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl 3-ethylsulfanyl-2-(4-methylpyridin-1-ium-1-yl)-3-sulfanylprop-2-enoate Traditional Name: 3-(ethylthio)-3-mercapto-2-(4-methylpyridin-1-ium-1-yl)acrylic acid ethyl ester Formula: C13H18NO2S2+ MolecularWeight: 284.41752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2S2/c1-4-16-12(15)11(13(17)18-5-2)14-8-6-10(3)7-9-14/h6-9H,4-5H2,1-3H3/p+1