(phenylmethyl) 2-(methylperoxymethyl)-2-(4-phenoxyphenyl)sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-(methylperoxymethyl)-2-(4-phenoxyphenyl)sulfanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 2-(methylperoxymethyl)-2-(4-phenoxyphenyl)sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(methyldioxymethyl)-2-[(4-phenoxyphenyl)thio]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(methylperoxymethyl)-2-(4-phenoxyphenyl)sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(methylperoxymethyl)-2-[(4-phenoxyphenyl)thio]pyrrolidine-1-carboxylic acid benzyl ester Formula: C26H27NO5S MolecularWeight: 465.56128

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Descriptors Computed from Structure

Canonical SMILES:

COOCC1(CCCN1C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COOCC1(CCCN1C(=O)OCC2=CC=CC=C2)SC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H27NO5S/c1-29-31-20-26(17-8-18-27(26)25(28)30-19-21-9-4-2-5-10-21)33-24-15-13-23(14-16-24)32-22-11-6-3-7-12-22/h2-7,9-16H,8,17-20H2,1H3