dimethyl (2R,4S,5R)-2,5-diphenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate

Systemtic Name: dimethyl (2R,4S,5R)-2,5-diphenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2,5-diphenyl-pyrrolidine-2,4-dicarboxylate CAS Name: (2R,4S,5R)-1-[benzamido(sulfanylidene)methyl]-2,5-diphenylpyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,4S,5R)-1-(benzoylcarbamothioyl)-2,5-diphenylpyrrolidine-2,4-dicarboxylate Traditional Name: (2R,4S,5R)-1-(benzoylthiocarbamoyl)-2,5-diphenyl-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC(N(C1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)[C@H]1C[C@@](N([C@H]1C2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C28H26N2O5S/c1-34-25(32)22-18-28(26(33)35-2,21-16-10-5-11-17-21)30(23(22)19-12-6-3-7-13-19)27(36)29-24(31)20-14-8-4-9-15-20/h3-17,22-23H,18H2,1-2H3,(H,29,31,36)/t22-,23-,28+/m0/s1