2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylethanoate

Systemtic Name: 2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylethanoate Openeye Name: 2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetate CAS Name: 2-[[1-(1,3-benzodioxol-5-yl)-2-imidazolyl]thio]acetate IUPAC Name: 2-[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]sulfanylacetate Traditional Name: 2-[[1-(1,3-benzodioxol-5-yl)imidazol-2-yl]thio]acetate Formula: C12H9N2O4S- MolecularWeight: 277.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=CN=C3SCC(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=CN=C3SCC(=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c15-11(16)6-19-12-13-3-4-14(12)8-1-2-9-10(5-8)18-7-17-9/h1-5H,6-7H2,(H,15,16)/p-1