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

Systemtic Name: bis[2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] ethanedioate Openeye Name: bis[2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] oxalate CAS Name: oxalic acid bis[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-yl] ester IUPAC Name: bis[2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-3H-benzimidazol-5-yl] oxalate Traditional Name: oxalic acid bis[2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-3H-benzimidazol-5-yl] ester Formula: C34H32N6O8S2 MolecularWeight: 716.78328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)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=C(C(=C6C)OC)C

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)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=C(C(=C6C)OC)C

InChI

InChI=1S/C34H32N6O8S2/c1-17-13-35-27(19(3)29(17)45-5)15-49(43)33-37-23-9-7-21(11-25(23)39-33)47-31(41)32(42)48-22-8-10-24-26(12-22)40-34(38-24)50(44)16-28-20(4)30(46-6)18(2)14-36-28/h7-14H,15-16H2,1-6H3,(H,37,39)(H,38,40)