5-methoxy-2-sulfanylidene-benzimidazole-1,3-dicarboxylic acid

Systemtic Name: 5-methoxy-2-sulfanylidene-benzimidazole-1,3-dicarboxylic acid Openeye Name: 5-methoxy-2-thioxo-benzimidazole-1,3-dicarboxylic acid CAS Name: 5-methoxy-2-sulfanylidenebenzimidazole-1,3-dicarboxylic acid IUPAC Name: 5-methoxy-2-sulfanylidenebenzimidazole-1,3-dicarboxylic acid Traditional Name: 5-methoxy-2-thioxo-benzimidazole-1,3-dicarboxylic acid Formula: C10H8N2O5S MolecularWeight: 268.24592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=S)N2C(=O)O)C(=O)O

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=S)N2C(=O)O)C(=O)O

InChI

InChI=1S/C10H8N2O5S/c1-17-5-2-3-6-7(4-5)12(10(15)16)8(18)11(6)9(13)14/h2-4H,1H3,(H,13,14)(H,15,16)