ethyl 4-(4-methylpyridin-1-ium-1-yl)-5,5-bis(methylsulfanyl)-3-oxidanylidene-pent-4-enoate iodide

Systemtic Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5,5-bis(methylsulfanyl)-3-oxidanylidene-pent-4-enoate iodide Openeye Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5,5-bis(methylsulfanyl)-3-oxo-pent-4-enoate iodide CAS Name: 4-(4-methyl-1-pyridin-1-iumyl)-5,5-bis(methylthio)-3-oxo-4-pentenoic acid ethyl ester iodide IUPAC Name: ethyl 4-(4-methylpyridin-1-ium-1-yl)-5,5-bis(methylsulfanyl)-3-oxopent-4-enoate iodide Traditional Name: 3-keto-4-(4-methylpyridin-1-ium-1-yl)-5,5-bis(methylthio)pent-4-enoic acid ethyl ester iodide Formula: C15H20INO3S2 MolecularWeight: 453.35867

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)C(=C(SC)SC)[N+]1=CC=C(C=C1)C.[I-]

Isomeric SMILES

CCOC(=O)CC(=O)C(=C(SC)SC)[N+]1=CC=C(C=C1)C.[I-]

InChI

InChI=1S/C15H20NO3S2.HI/c1-5-19-13(18)10-12(17)14(15(20-3)21-4)16-8-6-11(2)7-9-16;/h6-9H,5,10H2,1-4H3;1H/q+1;/p-1