8-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid

Systemtic Name: 8-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Openeye Name: 8-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid CAS Name: 8-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid IUPAC Name: 8-[(5,6-dimethoxy-1H-benzimidazol-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylic acid Traditional Name: 8-[[(5,6-dimethoxy-1H-benzimidazol-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)NC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)NC(=N2)SCC3=CC(=CC4=C3OCOC4)C(=O)O)OC

InChI

InChI=1S/C19H18N2O6S/c1-24-15-5-13-14(6-16(15)25-2)21-19(20-13)28-8-12-4-10(18(22)23)3-11-7-26-9-27-17(11)12/h3-6H,7-9H2,1-2H3,(H,20,21)(H,22,23)