1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanone Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-1-[(2S)-2-(1H-benzimidazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-1-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidino]ethanone Formula: C23H25N3O3S MolecularWeight: 423.5279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCCC2C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)N2CCC[C@H]2C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H25N3O3S/c1-15(27)16-9-10-21(29-2)17(12-16)13-30-14-22(28)26-11-5-8-20(26)23-24-18-6-3-4-7-19(18)25-23/h3-4,6-7,9-10,12,20H,5,8,11,13-14H2,1-2H3,(H,24,25)/t20-/m0/s1