3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(phenethylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-phenethylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(phenethylthio)benzimidazol-1-yl]propionic acid Formula: C18H18N2O2S MolecularWeight: 326.41272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCSC2=NC3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C18H18N2O2S/c21-17(22)10-12-20-16-9-5-4-8-15(16)19-18(20)23-13-11-14-6-2-1-3-7-14/h1-9H,10-13H2,(H,21,22)