bis[2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] ethanedioate

Systemtic Name: bis[2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] ethanedioate Openeye Name: bis[2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] oxalate CAS Name: oxalic acid bis[2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl] ester IUPAC Name: bis[2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] oxalate Traditional Name: oxalic acid bis[2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] ester Formula: C32H28N6O10S2 MolecularWeight: 720.72892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(=O)C(=O)OC4=CC5=C(C=C4)N=C(N5)S(=O)CC6=NC=CC(=C6OC)OC)OC

Isomeric SMILES

COC1=C(C(=NC=C1)CS(=O)C2=NC3=C(N2)C=C(C=C3)OC(=O)C(=O)OC4=CC5=C(C=C4)N=C(N5)S(=O)CC6=NC=CC(=C6OC)OC)OC

InChI

InChI=1S/C32H28N6O10S2/c1-43-25-9-11-33-23(27(25)45-3)15-49(41)31-35-19-7-5-17(13-21(19)37-31)47-29(39)30(40)48-18-6-8-20-22(14-18)38-32(36-20)50(42)16-24-28(46-4)26(44-2)10-12-34-24/h5-14H,15-16H2,1-4H3,(H,35,37)(H,36,38)