ethyl (Z)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-pent-4-enoate

Systemtic Name: ethyl (Z)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (Z)-5-(2-tert-butoxy-2-oxo-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxo-pent-4-enoate CAS Name: (Z)-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]thio]-4-(4-methyl-1-pyridin-1-iumyl)-5-(methylthio)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (Z)-5-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-5-methylsulfanyl-3-oxopent-4-enoate Traditional Name: (Z)-5-[(2-tert-butoxy-2-keto-ethyl)thio]-3-keto-4-(4-methylpyridin-1-ium-1-yl)-5-(methylthio)pent-4-enoic acid ethyl ester Formula: C20H28NO5S2+ MolecularWeight: 426.57002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)CC(=O)/C(=C(\SC)/SCC(=O)OC(C)(C)C)/[N+]1=CC=C(C=C1)C

InChI

InChI=1S/C20H28NO5S2/c1-7-25-16(23)12-15(22)18(21-10-8-14(2)9-11-21)19(27-6)28-13-17(24)26-20(3,4)5/h8-11H,7,12-13H2,1-6H3/q+1/b19-18-