3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid Openeye Name: 3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid CAS Name: 3-[(1-methyl-2-benzimidazolyl)thio]propanoic acid IUPAC Name: 3-(1-methylbenzimidazol-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(1-methylbenzimidazol-2-yl)thio]propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCCC(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCCC(=O)O

InChI

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