tert-butyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-acetylsulfanyl-2-[(1,3-dioxoisoindolin-2-yl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[(1,3-dioxo-2-isoindolyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetylsulfanyl-2-[(1,3-dioxoisoindol-2-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(phthalimidomethyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OC(C)(C)C)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OC(C)(C)C)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2O5S/c1-12(23)28-14-9-13(21(11-14)19(26)27-20(2,3)4)10-22-17(24)15-7-5-6-8-16(15)18(22)25/h5-8,13-14H,9-11H2,1-4H3