2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetate IUPAC Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetate Formula: C11H11N2O2S- MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)SCC(=O)[O-]

InChI

InChI=1S/C11H12N2O2S/c1-6-3-8-9(4-7(6)2)13-11(12-8)16-5-10(14)15/h3-4H,5H2,1-2H3,(H,12,13)(H,14,15)/p-1