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

Systemtic Name: ethyl (Z)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-ethylsulfanyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate Openeye Name: ethyl (Z)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-ethylsulfanyl-3-oxo-4-pyridin-1-ium-1-yl-pent-4-enoate CAS Name: (Z)-5-[(2-ethoxy-2-oxoethyl)thio]-5-(ethylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester IUPAC Name: ethyl (Z)-5-(2-ethoxy-2-oxoethyl)sulfanyl-5-ethylsulfanyl-3-oxo-4-pyridin-1-ium-1-ylpent-4-enoate Traditional Name: (Z)-5-[(2-ethoxy-2-keto-ethyl)thio]-5-(ethylthio)-3-keto-4-pyridin-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)OCC)[N+]1=CC=CC=C1

Isomeric SMILES

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

InChI

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