ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-5-sulfanyl-pent-4-enoate

Systemtic Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-5-sulfanyl-pent-4-enoate Openeye Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxo-5-sulfanyl-pent-4-enoate CAS Name: 5-mercapto-4-(4-methyl-1-pyridin-1-iumyl)-5-(methylthio)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxo-5-sulfanylpent-4-enoate Traditional Name: 3-keto-5-mercapto-4-(4-methylpyridin-1-ium-1-yl)-5-(methylthio)pent-4-enoic acid ethyl ester Formula: C14H18NO3S2+ MolecularWeight: 312.42762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S2/c1-4-18-12(17)9-11(16)13(14(19)20-3)15-7-5-10(2)6-8-15/h5-8H,4,9H2,1-3H3/p+1