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

Systemtic Name: dimethyl (2S,4S,5R)-5-phenyl-1-(phenylcarbonylcarbamothioyl)pyrrolidine-2,4-dicarboxylate Openeye Name: dimethyl (2S,4S,5R)-1-(benzoylcarbamothioyl)-5-phenyl-pyrrolidine-2,4-dicarboxylate CAS Name: (2S,4S,5R)-1-[benzamido(sulfanylidene)methyl]-5-phenylpyrrolidine-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,4S,5R)-1-(benzoylcarbamothioyl)-5-phenylpyrrolidine-2,4-dicarboxylate Traditional Name: (2S,4S,5R)-1-(benzoylthiocarbamoyl)-5-phenyl-pyrrolidine-2,4-dicarboxylic acid dimethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-28-20(26)16-13-17(21(27)29-2)24(18(16)14-9-5-3-6-10-14)22(30)23-19(25)15-11-7-4-8-12-15/h3-12,16-18H,13H2,1-2H3,(H,23,25,30)/t16-,17-,18-/m0/s1