(2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]-N-(2-phenylmethoxyphenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]-N-(2-phenylmethoxyphenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(2-benzyloxyphenyl)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-N-(2-phenylmethoxyphenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-N-(2-phenylmethoxyphenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(2-benzoxyphenyl)-1-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]pyrrolidine-2-carboxamide Formula: C28H28N4O3S MolecularWeight: 500.61192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCCC3C(=O)NC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)N3CCC[C@H]3C(=O)NC4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C28H28N4O3S/c1-31-23-14-7-5-12-21(23)30-28(31)36-19-26(33)32-17-9-15-24(32)27(34)29-22-13-6-8-16-25(22)35-18-20-10-3-2-4-11-20/h2-8,10-14,16,24H,9,15,17-19H2,1H3,(H,29,34)/t24-/m0/s1