[3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-cyanophenyl)ethyl]-3-oxidanylidene-butaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-cyanophenyl)ethyl]-3-oxidanylidene-butaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-[2-(2-cyanophenyl)ethyl]-3-oxo-butaneperoxoate CAS Name: 2-[2-(2-cyanophenyl)ethyl]-3-oxobutaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-[2-(2-cyanophenyl)ethyl]-3-oxobutaneperoxoate Traditional Name: 2-[2-(2-cyanophenyl)ethyl]-3-keto-peroxybutyric acid [3-(3-thenyloxy)phenyl] ester Formula: C24H21NO5S MolecularWeight: 435.49224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCC1=CC=CC=C1C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

CC(=O)C(CCC1=CC=CC=C1C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C24H21NO5S/c1-17(26)23(10-9-19-5-2-3-6-20(19)14-25)24(27)30-29-22-8-4-7-21(13-22)28-15-18-11-12-31-16-18/h2-8,11-13,16,23H,9-10,15H2,1H3