2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanoic acid

Systemtic Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanoic acid Openeye Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanoic acid CAS Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-(methylthio)propanoic acid IUPAC Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanylpropanoic acid Traditional Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-(methylthio)propionic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C(=O)O)SC

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)C(C)(C(=O)O)SC

InChI

InChI=1S/C20H22N2O4S/c1-12(18-21-16-10-9-15(25-3)11-17(16)22-18)26-14-7-5-13(6-8-14)20(2,27-4)19(23)24/h5-12H,1-4H3,(H,21,22)(H,23,24)