ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate CAS Name: 5-mercapto-4-(4-methyl-1-pyridin-1-iumyl)-5-(methylthio)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanylpenta-2,4-dienoate Traditional Name: 5-mercapto-4-(4-methylpyridin-1-ium-1-yl)-5-(methylthio)penta-2,4-dienoic acid ethyl ester Formula: C14H18NO2S2+ MolecularWeight: 296.42822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO2S2/c1-4-17-13(16)6-5-12(14(18)19-3)15-9-7-11(2)8-10-15/h5-10H,4H2,1-3H3/p+1