dimethyl (2S,5R)-5-phenyl-1-(phenylmethyl)-2-thiophen-2-yl-pyrrolidine-3,3-dicarboxylate

Systemtic Name: dimethyl (2S,5R)-5-phenyl-1-(phenylmethyl)-2-thiophen-2-yl-pyrrolidine-3,3-dicarboxylate Openeye Name: dimethyl (2S,5R)-1-benzyl-5-phenyl-2-(2-thienyl)pyrrolidine-3,3-dicarboxylate CAS Name: (2S,5R)-5-phenyl-1-(phenylmethyl)-2-thiophen-2-ylpyrrolidine-3,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2S,5R)-1-benzyl-5-phenyl-2-thiophen-2-ylpyrrolidine-3,3-dicarboxylate Traditional Name: (2S,5R)-1-benzyl-5-phenyl-2-(2-thienyl)pyrrolidine-3,3-dicarboxylic acid dimethyl ester Formula: C25H25NO4S MolecularWeight: 435.5353

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(N(C1C2=CC=CS2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC(=O)C1(C[C@@H](N([C@@H]1C2=CC=CS2)CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C25H25NO4S/c1-29-23(27)25(24(28)30-2)16-20(19-12-7-4-8-13-19)26(17-18-10-5-3-6-11-18)22(25)21-14-9-15-31-21/h3-15,20,22H,16-17H2,1-2H3/t20-,22-/m1/s1