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

Systemtic Name: ethyl 4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-2-oxidanylidene-5-propyl-oxolane-3-carboxylate Openeye Name: ethyl 4-[methylsulfanyl(p-tolylsulfonyl)methyl]-2-oxo-5-propyl-tetrahydrofuran-3-carboxylate CAS Name: 4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxo-5-propyl-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-2-oxo-5-propyloxolane-3-carboxylate Traditional Name: 2-keto-4-[(methylthio)-tosyl-methyl]-5-propyl-tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C19H26O6S2 MolecularWeight: 414.53614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C(C(=O)O1)C(=O)OCC)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC1C(C(C(=O)O1)C(=O)OCC)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H26O6S2/c1-5-7-14-15(16(18(21)25-14)17(20)24-6-2)19(26-4)27(22,23)13-10-8-12(3)9-11-13/h8-11,14-16,19H,5-7H2,1-4H3