diethyl 2-[2-chloranyl-2-(4-methylphenyl)sulfonyl-2-methylsulfanyl-ethyl]propanedioate

Systemtic Name: diethyl 2-[2-chloranyl-2-(4-methylphenyl)sulfonyl-2-methylsulfanyl-ethyl]propanedioate Openeye Name: diethyl 2-[2-chloro-2-methylsulfanyl-2-(p-tolylsulfonyl)ethyl]propanedioate CAS Name: 2-[2-chloro-2-(4-methylphenyl)sulfonyl-2-(methylthio)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-chloro-2-(4-methylphenyl)sulfonyl-2-methylsulfanylethyl]propanedioate Traditional Name: 2-[2-chloro-2-(methylthio)-2-tosyl-ethyl]malonic acid diethyl ester Formula: C17H23ClO6S2 MolecularWeight: 422.94392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(SC)(S(=O)(=O)C1=CC=C(C=C1)C)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC(SC)(S(=O)(=O)C1=CC=C(C=C1)C)Cl)C(=O)OCC

InChI

InChI=1S/C17H23ClO6S2/c1-5-23-15(19)14(16(20)24-6-2)11-17(18,25-4)26(21,22)13-9-7-12(3)8-10-13/h7-10,14H,5-6,11H2,1-4H3