tert-butyl 1-(4-methylphenyl)sulfonyl-2-oxidanylidene-3-(phenylmethylsulfanyl)pyrrolidine-3-carboxylate

Systemtic Name: tert-butyl 1-(4-methylphenyl)sulfonyl-2-oxidanylidene-3-(phenylmethylsulfanyl)pyrrolidine-3-carboxylate Openeye Name: tert-butyl 3-benzylsulfanyl-2-oxo-1-(p-tolylsulfonyl)pyrrolidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-oxo-3-(phenylmethylthio)-3-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-benzylsulfanyl-1-(4-methylphenyl)sulfonyl-2-oxopyrrolidine-3-carboxylate Traditional Name: 3-(benzylthio)-2-keto-1-tosyl-pyrrolidine-3-carboxylic acid tert-butyl ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2=O)(C(=O)OC(C)(C)C)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2=O)(C(=O)OC(C)(C)C)SCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO5S2/c1-17-10-12-19(13-11-17)31(27,28)24-15-14-23(20(24)25,21(26)29-22(2,3)4)30-16-18-8-6-5-7-9-18/h5-13H,14-16H2,1-4H3