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

Systemtic Name: ethyl 5,5-bis(ethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-pent-4-enoate iodide Openeye Name: ethyl 5,5-bis(ethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-oxo-pent-4-enoate iodide CAS Name: 5,5-bis(ethylthio)-4-(4-methyl-1-pyridin-1-iumyl)-3-oxo-4-pentenoic acid ethyl ester iodide IUPAC Name: ethyl 5,5-bis(ethylsulfanyl)-4-(4-methylpyridin-1-ium-1-yl)-3-oxopent-4-enoate iodide Traditional Name: 5,5-bis(ethylthio)-3-keto-4-(4-methylpyridin-1-ium-1-yl)pent-4-enoic acid ethyl ester iodide Formula: C17H24INO3S2 MolecularWeight: 481.41183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24NO3S2.HI/c1-5-21-15(20)12-14(19)16(17(22-6-2)23-7-3)18-10-8-13(4)9-11-18;/h8-11H,5-7,12H2,1-4H3;1H/q+1;/p-1