diethyl 2-(2-iodanylprop-2-enyl)-2-[(E)-4-(4-methylphenyl)sulfinylbut-3-enyl]propanedioate

Systemtic Name: diethyl 2-(2-iodanylprop-2-enyl)-2-[(E)-4-(4-methylphenyl)sulfinylbut-3-enyl]propanedioate Openeye Name: diethyl 2-(2-iodoallyl)-2-[(E)-4-(p-tolylsulfinyl)but-3-enyl]propanedioate CAS Name: 2-(2-iodoprop-2-enyl)-2-[(E)-4-(4-methylphenyl)sulfinylbut-3-enyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-iodoprop-2-enyl)-2-[(E)-4-(4-methylphenyl)sulfinylbut-3-enyl]propanedioate Traditional Name: 2-(2-iodoallyl)-2-[(E)-4-(p-tolylsulfinyl)but-3-enyl]malonic acid diethyl ester Formula: C21H27IO5S MolecularWeight: 518.40555

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC=CS(=O)C1=CC=C(C=C1)C)(CC(=C)I)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC/C=C/S(=O)C1=CC=C(C=C1)C)(CC(=C)I)C(=O)OCC

InChI

InChI=1S/C21H27IO5S/c1-5-26-19(23)21(15-17(4)22,20(24)27-6-2)13-7-8-14-28(25)18-11-9-16(3)10-12-18/h8-12,14H,4-7,13,15H2,1-3H3/b14-8+