ethyl (Z)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-pent-4-enoate

Systemtic Name: ethyl (Z)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (Z)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxo-pent-4-enoate CAS Name: (Z)-5-[(2-ethoxy-2-oxoethyl)thio]-5-(ethylthio)-4-(4-methyl-1-pyridin-1-iumyl)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (Z)-5-(2-ethoxy-2-oxoethyl)sulfanyl-5-ethylsulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxopent-4-enoate Traditional Name: (Z)-5-[(2-ethoxy-2-keto-ethyl)thio]-5-(ethylthio)-3-keto-4-(4-methylpyridin-1-ium-1-yl)pent-4-enoic acid ethyl ester Formula: C19H26NO5S2+ MolecularWeight: 412.54344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26NO5S2/c1-5-24-16(22)12-15(21)18(20-10-8-14(4)9-11-20)19(26-7-3)27-13-17(23)25-6-2/h8-11H,5-7,12-13H2,1-4H3/q+1/b19-18-