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

Systemtic Name: methyl 6-(5-acetyloxypentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate Openeye Name: methyl 6-(5-acetoxypentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate CAS Name: 6-(5-acetyloxypentyl)-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-acetyloxypentyl)-2-methylsulfanyl-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-3-ium-3-carboxylate Traditional Name: 6-(5-acetoxypentyl)-2-(methylthio)-3a,4,6,6a-tetrahydro-1H-thien[3,4-d]imidazol-3-ium-3-carboxylic acid methyl ester Formula: C15H25N2O4S2+ MolecularWeight: 361.5

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCCCC1C2C(CS1)[N+](=C(N2)SC)C(=O)OC

Isomeric SMILES

CC(=O)OCCCCCC1C2C(CS1)[N+](=C(N2)SC)C(=O)OC

InChI

InChI=1S/C15H24N2O4S2/c1-10(18)21-8-6-4-5-7-12-13-11(9-23-12)17(15(19)20-2)14(16-13)22-3/h11-13H,4-9H2,1-3H3/p+1