ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanyl-penta-2,4-dienoate CAS Name: 4-(3,5-dimethyl-1-pyridin-1-iumyl)-5-mercapto-5-(methylthio)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-methylsulfanyl-5-sulfanylpenta-2,4-dienoate Traditional Name: 4-(3,5-dimethylpyridin-1-ium-1-yl)-5-mercapto-5-(methylthio)penta-2,4-dienoic acid ethyl ester Formula: C15H20NO2S2+ MolecularWeight: 310.4548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19NO2S2/c1-5-18-14(17)7-6-13(15(19)20-4)16-9-11(2)8-12(3)10-16/h6-10H,5H2,1-4H3/p+1