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

Systemtic Name: ethyl (Z)-5-ethylsulfanyl-5-(2-methoxy-2-oxidanylidene-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxidanylidene-pent-4-enoate Openeye Name: ethyl (Z)-5-ethylsulfanyl-5-(2-methoxy-2-oxo-ethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxo-pent-4-enoate CAS Name: (Z)-5-(ethylthio)-5-[(2-methoxy-2-oxoethyl)thio]-4-(4-methyl-1-pyridin-1-iumyl)-3-oxo-4-pentenoic acid ethyl ester IUPAC Name: ethyl (Z)-5-ethylsulfanyl-5-(2-methoxy-2-oxoethyl)sulfanyl-4-(4-methylpyridin-1-ium-1-yl)-3-oxopent-4-enoate Traditional Name: (Z)-5-(ethylthio)-3-keto-5-[(2-keto-2-methoxy-ethyl)thio]-4-(4-methylpyridin-1-ium-1-yl)pent-4-enoic acid ethyl ester Formula: C18H24NO5S2+ MolecularWeight: 398.51686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO5S2/c1-5-24-15(21)11-14(20)17(19-9-7-13(3)8-10-19)18(25-6-2)26-12-16(22)23-4/h7-10H,5-6,11-12H2,1-4H3/q+1/b18-17-