3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(6-methyl-1H-benzimidazol-2-yl)thio]propanoic acid IUPAC Name: 3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(6-methyl-1H-benzimidazol-2-yl)thio]propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCCC(=O)O

InChI

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