3-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid

Systemtic Name: 3-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid Openeye Name: 3-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfanyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid CAS Name: 3-[4-[[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylthio]-1-benzimidazolyl]sulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]benzimidazol-1-yl]sulfonylphenyl]propanoic acid Traditional Name: 3-[4-[5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylthio]benzimidazol-1-yl]sulfonylphenyl]propionic acid Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O)C=CC(=C3)OC

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CSC2=NC3=C(N2S(=O)(=O)C4=CC=C(C=C4)CCC(=O)O)C=CC(=C3)OC

InChI

InChI=1S/C26H27N3O6S2/c1-16-14-27-22(17(2)25(16)35-4)15-36-26-28-21-13-19(34-3)8-11-23(21)29(26)37(32,33)20-9-5-18(6-10-20)7-12-24(30)31/h5-6,8-11,13-14H,7,12,15H2,1-4H3,(H,30,31)