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

Systemtic Name: ethyl (Z)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-methylsulfanyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate bromide Openeye Name: ethyl (Z)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-methylsulfanyl-3-oxo-4-pyridin-1-ium-1-yl-pent-4-enoate bromide CAS Name: (Z)-5-[(2-ethoxy-2-oxoethyl)thio]-5-(methylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-5-(2-ethoxy-2-oxoethyl)sulfanyl-5-methylsulfanyl-3-oxo-4-pyridin-1-ium-1-ylpent-4-enoate bromide Traditional Name: (Z)-5-[(2-ethoxy-2-keto-ethyl)thio]-3-keto-5-(methylthio)-4-pyridin-1-ium-1-yl-pent-4-enoic acid ethyl ester bromide Formula: C17H22BrNO5S2 MolecularWeight: 464.39428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22NO5S2.BrH/c1-4-22-14(20)11-13(19)16(18-9-7-6-8-10-18)17(24-3)25-12-15(21)23-5-2;/h6-10H,4-5,11-12H2,1-3H3;1H/q+1;/p-1/b17-16-;