tert-butyl 4-(4-cyanophenyl)carbonyloxy-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-cyanophenyl)carbonyloxy-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyanobenzoyl)oxy-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(4-cyanophenyl)-oxomethoxy]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyanobenzoyl)oxy-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-cyanobenzoyl)oxy-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O5S/c1-21(2,3)29-20(27)24-12-16(10-17(24)18(25)23-8-9-30-13-23)28-19(26)15-6-4-14(11-22)5-7-15/h4-7,16-17H,8-10,12-13H2,1-3H3