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

Systemtic Name: ethyl 5,5-dimethyl-4-[(4-methylphenyl)sulfonyl-methylsulfanyl-methyl]-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: ethyl 5,5-dimethyl-4-[methylsulfanyl(p-tolylsulfonyl)methyl]-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 5,5-dimethyl-4-[(4-methylphenyl)sulfonyl-(methylthio)methyl]-2-oxo-3-oxolanecarboxylic acid ethyl ester IUPAC Name: ethyl 5,5-dimethyl-4-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-2-oxooxolane-3-carboxylate Traditional Name: 2-keto-5,5-dimethyl-4-[(methylthio)-tosyl-methyl]tetrahydrofuran-3-carboxylic acid ethyl ester Formula: C18H24O6S2 MolecularWeight: 400.50956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24O6S2/c1-6-23-15(19)13-14(18(3,4)24-16(13)20)17(25-5)26(21,22)12-9-7-11(2)8-10-12/h7-10,13-14,17H,6H2,1-5H3