3-[4-[2-[(3,5-dimethyl-4-oxidanylidene-1H-pyridin-2-yl)methylsulfinyl]-5-methoxy-benzimidazol-1-yl]sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[4-[2-[(3,5-dimethyl-4-oxidanylidene-1H-pyridin-2-yl)methylsulfinyl]-5-methoxy-benzimidazol-1-yl]sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid Openeye Name: 3-[4-[2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methylsulfinyl]-5-methoxy-benzimidazol-1-yl]sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propanoic acid CAS Name: 3-[4-[[2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methylsulfinyl]-5-methoxy-1-benzimidazolyl]sulfonyl]-3,5-dimethylphenoxy]-2,2-dimethylpropanoic acid IUPAC Name: 3-[4-[2-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methylsulfinyl]-5-methoxybenzimidazol-1-yl]sulfonyl-3,5-dimethylphenoxy]-2,2-dimethylpropanoic acid Traditional Name: 3-[4-[2-[(4-keto-3,5-dimethyl-1H-pyridin-2-yl)methylsulfinyl]-5-methoxy-benzimidazol-1-yl]sulfonyl-3,5-dimethyl-phenoxy]-2,2-dimethyl-propionic acid Formula: C29H33N3O8S2 MolecularWeight: 615.71762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2C3=C(C=C(C=C3)OC)N=C2S(=O)CC4=C(C(=O)C(=CN4)C)C)C)OCC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2C3=C(C=C(C=C3)OC)N=C2S(=O)CC4=C(C(=O)C(=CN4)C)C)C)OCC(C)(C)C(=O)O

InChI

InChI=1S/C29H33N3O8S2/c1-16-10-21(40-15-29(5,6)27(34)35)11-17(2)26(16)42(37,38)32-24-9-8-20(39-7)12-22(24)31-28(32)41(36)14-23-19(4)25(33)18(3)13-30-23/h8-13H,14-15H2,1-7H3,(H,30,33)(H,34,35)