methyl 6-(5-methoxy-5-oxidanylidene-pentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate

Systemtic Name: methyl 6-(5-methoxy-5-oxidanylidene-pentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate Openeye Name: methyl 6-(5-methoxy-5-oxo-pentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate CAS Name: 6-(5-methoxy-5-oxopentyl)-2-(methylthio)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 6-(5-methoxy-5-oxopentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate Traditional Name: 6-(5-keto-5-methoxy-pentyl)-2-(methylthio)-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-3-ium-3-carboxylic acid methyl ester Formula: C14H23N2O4S2+ MolecularWeight: 347.47342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCC1C2C(CS1)[N+](=C(N2)SC)C(=O)OC

Isomeric SMILES

COC(=O)CCCCC1C2C(CS1)[N+](=C(N2)SC)C(=O)OC

InChI

InChI=1S/C14H22N2O4S2/c1-19-11(17)7-5-4-6-10-12-9(8-22-10)16(14(18)20-2)13(15-12)21-3/h9-10,12H,4-8H2,1-3H3/p+1