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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=CC=CC=C2N=C1SC

Isomeric SMILES

CC(C(=O)O)N1C2=CC=CC=C2N=C1SC

InChI

InChI=1S/C11H12N2O2S/c1-7(10(14)15)13-9-6-4-3-5-8(9)12-11(13)16-2/h3-7H,1-2H3,(H,14,15)