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

Systemtic Name: diethyl 2-[2-methylsulfanyl-2-methylsulfinyl-1-(2-prop-2-enoxyphenyl)propyl]propanedioate Openeye Name: diethyl 2-[1-(2-allyloxyphenyl)-2-methylsulfanyl-2-methylsulfinyl-propyl]propanedioate CAS Name: 2-[2-methylsulfinyl-2-(methylthio)-1-(2-prop-2-enoxyphenyl)propyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-methylsulfanyl-2-methylsulfinyl-1-(2-prop-2-enoxyphenyl)propyl]propanedioate Traditional Name: 2-[1-(2-allyloxyphenyl)-2-methylsulfinyl-2-(methylthio)propyl]malonic acid diethyl ester Formula: C21H30O6S2 MolecularWeight: 442.5893

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O6S2/c1-7-14-27-16-13-11-10-12-15(16)18(21(4,28-5)29(6)24)17(19(22)25-8-2)20(23)26-9-3/h7,10-13,17-18H,1,8-9,14H2,2-6H3