[3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-phenyl-ethaneperoxoate

Systemtic Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-phenyl-ethaneperoxoate Openeye Name: [3-(3-thienylmethoxy)phenyl] 2-cyano-2-phenyl-peroxyacetate CAS Name: 2-cyano-2-phenylethaneperoxoic acid [3-(3-thiophenylmethoxy)phenyl] ester IUPAC Name: [3-(thiophen-3-ylmethoxy)phenyl] 2-cyano-2-phenylethaneperoxoate Traditional Name: 2-cyano-2-phenyl-peracetic acid [3-(3-thenyloxy)phenyl] ester Formula: C20H15NO4S MolecularWeight: 365.4024

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C#N)C(=O)OOC2=CC=CC(=C2)OCC3=CSC=C3

InChI

InChI=1S/C20H15NO4S/c21-12-19(16-5-2-1-3-6-16)20(22)25-24-18-8-4-7-17(11-18)23-13-15-9-10-26-14-15/h1-11,14,19H,13H2