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

Systemtic Name: ethyl (Z)-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-5-ethylsulfanyl-3-oxidanylidene-4-pyridin-1-ium-1-yl-pent-4-enoate bromide Openeye Name: ethyl (Z)-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-5-ethylsulfanyl-3-oxo-4-pyridin-1-ium-1-yl-pent-4-enoate bromide CAS Name: (Z)-5-[(2-ethoxy-2-oxoethyl)thio]-5-(ethylthio)-3-oxo-4-(1-pyridin-1-iumyl)-4-pentenoic acid ethyl ester bromide IUPAC Name: ethyl (Z)-5-(2-ethoxy-2-oxoethyl)sulfanyl-5-ethylsulfanyl-3-oxo-4-pyridin-1-ium-1-ylpent-4-enoate bromide 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 bromide Formula: C18H24BrNO5S2 MolecularWeight: 478.42086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24NO5S2.BrH/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;1H/q+1;/p-1/b18-17-;