3-[4-[(1-methyl-6-oxidanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[(1-methyl-6-oxidanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoic acid Openeye Name: 3-[4-[(6-hydroxy-1-methyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoic acid CAS Name: 3-[4-[(6-hydroxy-1-methyl-2-benzimidazolyl)methoxy]phenyl]-2-(methylthio)propanoic acid IUPAC Name: 3-[4-[(6-hydroxy-1-methylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanoic acid Traditional Name: 3-[4-[(6-hydroxy-1-methyl-benzimidazol-2-yl)methoxy]phenyl]-2-(methylthio)propionic acid Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)O)N=C1COC3=CC=C(C=C3)CC(C(=O)O)SC

Isomeric SMILES

CN1C2=C(C=CC(=C2)O)N=C1COC3=CC=C(C=C3)CC(C(=O)O)SC

InChI

InChI=1S/C19H20N2O4S/c1-21-16-10-13(22)5-8-15(16)20-18(21)11-25-14-6-3-12(4-7-14)9-17(26-2)19(23)24/h3-8,10,17,22H,9,11H2,1-2H3,(H,23,24)