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

Systemtic Name: 3-(2-methylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-methylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(methylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-methylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(methylthio)benzimidazol-1-yl]propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CC=CC=C2N1CCC(=O)O

Isomeric SMILES

CSC1=NC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C11H12N2O2S/c1-16-11-12-8-4-2-3-5-9(8)13(11)7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)