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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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