[3-(thiophen-3-ylmethoxy)phenyl] 2-(2-cyanoethylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(2-cyanoethylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-(2-cyanoethylcarbamoyl)-4-(o-tolyl)butaneperoxoate CAS Name: 2-[(2-cyanoethylamino)-oxomethyl]-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(2-cyanoethylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-(2-cyanoethylcarbamoyl)-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(C(=O)NCCC#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC1=CC=CC=C1CCC(C(=O)NCCC#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C26H26N2O5S/c1-19-6-2-3-7-21(19)10-11-24(25(29)28-14-5-13-27)26(30)33-32-23-9-4-8-22(16-23)31-17-20-12-15-34-18-20/h2-4,6-9,12,15-16,18,24H,5,10-11,14,17H2,1H3,(H,28,29)