dimethyl (2R,4S,5R)-2-butan-2-yl-5-phenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: dimethyl (2R,4S,5R)-2-butan-2-yl-5-phenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-5-phenyl-2-sec-butyl-pyrrolidine-2,4-dicarboxylate CAS Name: (2R,4S,5R)-1-[benzamido(sulfanylidene)methyl]-2-butan-2-yl-5-phenylpyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2-butan-2-yl-5-phenylpyrrolidine-2,4-dicarboxylate Traditional Name: (2R,4S,5R)-1-(benzoylthiocarbamoyl)-5-phenyl-2-sec-butyl-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C26H30N2O5S MolecularWeight: 482.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1(CC(C(N1C(=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCC(C)[C@]1(C[C@@H]([C@@H](N1C(=S)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H30N2O5S/c1-5-17(2)26(24(31)33-4)16-20(23(30)32-3)21(18-12-8-6-9-13-18)28(26)25(34)27-22(29)19-14-10-7-11-15-19/h6-15,17,20-21H,5,16H2,1-4H3,(H,27,29,34)/t17?,20-,21-,26+/m0/s1