diethyl 2-(3-bromanylpropyl)-2-[(2E)-2-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]ethyl]propanedioate

Systemtic Name: diethyl 2-(3-bromanylpropyl)-2-[(2E)-2-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]ethyl]propanedioate Openeye Name: diethyl 2-(3-bromopropyl)-2-[(2E)-2-[(2,4,6-trimethylphenyl)sulfonylhydrazono]ethyl]propanedioate CAS Name: 2-(3-bromopropyl)-2-[(2E)-2-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-bromopropyl)-2-[(2E)-2-[(2,4,6-trimethylphenyl)sulfonylhydrazinylidene]ethyl]propanedioate Traditional Name: 2-(3-bromopropyl)-2-[(2E)-2-(mesitylsulfonylhydrazono)ethyl]malonic acid diethyl ester Formula: C21H31BrN2O6S MolecularWeight: 519.44964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCBr)(CC=NNS(=O)(=O)C1=C(C=C(C=C1C)C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CCCBr)(C/C=N/NS(=O)(=O)C1=C(C=C(C=C1C)C)C)C(=O)OCC

InChI

InChI=1S/C21H31BrN2O6S/c1-6-29-19(25)21(9-8-11-22,20(26)30-7-2)10-12-23-24-31(27,28)18-16(4)13-15(3)14-17(18)5/h12-14,24H,6-11H2,1-5H3/b23-12+