ethyl 5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanyl-penta-2,4-dienoate

Systemtic Name: ethyl 5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanyl-penta-2,4-dienoate Openeye Name: ethyl 5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanyl-penta-2,4-dienoate CAS Name: 5-mercapto-5-(methylthio)-4-(1-pyridin-1-iumyl)penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl 5-methylsulfanyl-4-pyridin-1-ium-1-yl-5-sulfanylpenta-2,4-dienoate Traditional Name: 5-mercapto-5-(methylthio)-4-pyridin-1-ium-1-yl-penta-2,4-dienoic acid ethyl ester Formula: C13H16NO2S2+ MolecularWeight: 282.40164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO2S2/c1-3-16-12(15)8-7-11(13(17)18-2)14-9-5-4-6-10-14/h4-10H,3H2,1-2H3/p+1