diethyl 2-[2-methylsulfanyl-2-methylsulfinyl-1-(2-prop-2-enoxyphenyl)ethyl]propanedioate

Systemtic Name: diethyl 2-[2-methylsulfanyl-2-methylsulfinyl-1-(2-prop-2-enoxyphenyl)ethyl]propanedioate Openeye Name: diethyl 2-[1-(2-allyloxyphenyl)-2-methylsulfanyl-2-methylsulfinyl-ethyl]propanedioate CAS Name: 2-[2-methylsulfinyl-2-(methylthio)-1-(2-prop-2-enoxyphenyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-methylsulfanyl-2-methylsulfinyl-1-(2-prop-2-enoxyphenyl)ethyl]propanedioate Traditional Name: 2-[1-(2-allyloxyphenyl)-2-methylsulfinyl-2-(methylthio)ethyl]malonic acid diethyl ester Formula: C20H28O6S2 MolecularWeight: 428.56272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1OCC=C)C(SC)S(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1OCC=C)C(SC)S(=O)C)C(=O)OCC

InChI

InChI=1S/C20H28O6S2/c1-6-13-26-15-12-10-9-11-14(15)16(20(27-4)28(5)23)17(18(21)24-7-2)19(22)25-8-3/h6,9-12,16-17,20H,1,7-8,13H2,2-5H3