diethyl 2-[2-bromanyl-1-(4-chlorophenyl)-2-(phenylsulfonyl)ethylidene]propanedioate

Systemtic Name: diethyl 2-[2-bromanyl-1-(4-chlorophenyl)-2-(phenylsulfonyl)ethylidene]propanedioate Openeye Name: diethyl 2-[2-(benzenesulfonyl)-2-bromo-1-(4-chlorophenyl)ethylidene]propanedioate CAS Name: 2-[2-(benzenesulfonyl)-2-bromo-1-(4-chlorophenyl)ethylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-(benzenesulfonyl)-2-bromo-1-(4-chlorophenyl)ethylidene]propanedioate Traditional Name: 2-[2-besyl-2-bromo-1-(4-chlorophenyl)ethylidene]malonic acid diethyl ester Formula: C21H20BrClO6S MolecularWeight: 515.8019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=CC=C(C=C1)Cl)C(S(=O)(=O)C2=CC=CC=C2)Br)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C(C1=CC=C(C=C1)Cl)C(S(=O)(=O)C2=CC=CC=C2)Br)C(=O)OCC

InChI

InChI=1S/C21H20BrClO6S/c1-3-28-20(24)18(21(25)29-4-2)17(14-10-12-15(23)13-11-14)19(22)30(26,27)16-8-6-5-7-9-16/h5-13,19H,3-4H2,1-2H3