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

Systemtic Name: ethyl 5-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 5-methyl-4-[methylsulfanyl(p-tolylsulfonyl)methyl]-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 5-methyl-4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-2-oxooxolane-3-carboxylate Traditional Name: 2-keto-5-methyl-4-[(methylthio)-tosyl-methyl]tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C17H22O6S2 MolecularWeight: 386.48298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(OC1=O)C)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1C(C(OC1=O)C)C(SC)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H22O6S2/c1-5-22-15(18)14-13(11(3)23-16(14)19)17(24-4)25(20,21)12-8-6-10(2)7-9-12/h6-9,11,13-14,17H,5H2,1-4H3