ditert-butyl (2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylate

Systemtic Name: ditert-butyl (2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-yl-pyrrolidine-2,4-dicarboxylate Openeye Name: ditert-butyl (2S,4S,5R)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl (2S,4S,5R)-2-(2-methylpropyl)-5-thiophen-2-ylpyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4S,5R)-2-isobutyl-5-(2-thienyl)pyrrolidine-2,4-dicarboxylic acid ditert-butyl ester Formula: C22H35NO4S MolecularWeight: 409.5826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1(CC(C(N1)C2=CC=CS2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@]1(C[C@@H]([C@@H](N1)C2=CC=CS2)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H35NO4S/c1-14(2)12-22(19(25)27-21(6,7)8)13-15(18(24)26-20(3,4)5)17(23-22)16-10-9-11-28-16/h9-11,14-15,17,23H,12-13H2,1-8H3/t15-,17+,22-/m0/s1