3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-(1-naphthylmethylsulfanyl)benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-(1-naphthalenylmethylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-(naphthalen-1-ylmethylsulfanyl)benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-(1-naphthylmethylthio)benzimidazol-1-yl]propionic acid Formula: C21H18N2O2S MolecularWeight: 362.44482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NC4=CC=CC=C4N3CCC(=O)O

InChI

InChI=1S/C21H18N2O2S/c24-20(25)12-13-23-19-11-4-3-10-18(19)22-21(23)26-14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)