(phenylmethyl) (2S)-2-(6-thiophen-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(6-thiophen-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-[6-(3-thienyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[6-(3-thiophenyl)-1H-benzimidazol-2-yl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(6-thiophen-3-yl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[6-(3-thienyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H21N3O2S MolecularWeight: 403.49674

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CSC=C5

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=NC4=C(N3)C=C(C=C4)C5=CSC=C5

InChI

InChI=1S/C23H21N3O2S/c27-23(28-14-16-5-2-1-3-6-16)26-11-4-7-21(26)22-24-19-9-8-17(13-20(19)25-22)18-10-12-29-15-18/h1-3,5-6,8-10,12-13,15,21H,4,7,11,14H2,(H,24,25)/t21-/m0/s1