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

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(cyanomethylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-(cyanomethylcarbamoyl)-4-(o-tolyl)butaneperoxoate CAS Name: 2-[(cyanomethylamino)-oxomethyl]-4-(2-methylphenyl)butaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-(cyanomethylcarbamoyl)-4-(2-methylphenyl)butaneperoxoate Traditional Name: 2-(cyanomethylcarbamoyl)-4-(o-tolyl)peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N2O5S/c1-18-5-2-3-6-20(18)9-10-23(24(28)27-13-12-26)25(29)32-31-22-8-4-7-21(15-22)30-16-19-11-14-33-17-19/h2-8,11,14-15,17,23H,9-10,13,16H2,1H3,(H,27,28)