2-(5,6-dimethoxy-2-methylsulfanyl-benzimidazol-1-yl)ethanoate

Systemtic Name: 2-(5,6-dimethoxy-2-methylsulfanyl-benzimidazol-1-yl)ethanoate Openeye Name: 2-(5,6-dimethoxy-2-methylsulfanyl-benzimidazol-1-yl)acetate CAS Name: 2-[5,6-dimethoxy-2-(methylthio)-1-benzimidazolyl]acetate IUPAC Name: 2-(5,6-dimethoxy-2-methylsulfanylbenzimidazol-1-yl)acetate Traditional Name: 2-[5,6-dimethoxy-2-(methylthio)benzimidazol-1-yl]acetate Formula: C12H13N2O4S- MolecularWeight: 281.30762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N=C(N2CC(=O)[O-])SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N=C(N2CC(=O)[O-])SC)OC

InChI

InChI=1S/C12H14N2O4S/c1-17-9-4-7-8(5-10(9)18-2)14(6-11(15)16)12(13-7)19-3/h4-5H,6H2,1-3H3,(H,15,16)/p-1