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

Systemtic Name: bis[2-[(3,4-dimethoxypyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] carbonate Openeye Name: bis[2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] carbonate CAS Name: carbonic 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] carbonate Traditional Name: carbonic acid bis[2-[(3,4-dimethoxy-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] ester Formula: C31H28N6O9S2 MolecularWeight: 692.71882

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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)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)OC4=CC5=C(C=C4)N=C(N5)S(=O)CC6=NC=CC(=C6OC)OC)OC

InChI

InChI=1S/C31H28N6O9S2/c1-41-25-9-11-32-23(27(25)43-3)15-47(39)29-34-19-7-5-17(13-21(19)36-29)45-31(38)46-18-6-8-20-22(14-18)37-30(35-20)48(40)16-24-28(44-4)26(42-2)10-12-33-24/h5-14H,15-16H2,1-4H3,(H,34,36)(H,35,37)