ethyl 4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-2-oxidanylidene-5-pentyl-oxolane-3-carboxylate

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-2-oxidanylidene-5-pentyl-oxolane-3-carboxylate Openeye Name: ethyl 4-[methylsulfanyl(p-tolylsulfonyl)methyl]-2-oxo-5-pentyl-tetrahydrofuran-3-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxo-5-pentyl-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-2-oxo-5-pentyloxolane-3-carboxylate Traditional Name: 5-amyl-2-keto-4-[(methylthio)-tosyl-methyl]tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C21H30O6S2 MolecularWeight: 442.5893

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1C(C(C(=O)O1)C(=O)OCC)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC1C(C(C(=O)O1)C(=O)OCC)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H30O6S2/c1-5-7-8-9-16-17(18(20(23)27-16)19(22)26-6-2)21(28-4)29(24,25)15-12-10-14(3)11-13-15/h10-13,16-18,21H,5-9H2,1-4H3