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

Systemtic Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanoic acid Openeye Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanyl-propanoic acid CAS Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-(methylthio)propanoic acid IUPAC Name: 3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylsulfanylpropanoic acid Traditional Name: 3-[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)CC(C(=O)O)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-12(19-21-16-9-8-15(25-2)11-17(16)22-19)26-14-6-4-13(5-7-14)10-18(27-3)20(23)24/h4-9,11-12,18H,10H2,1-3H3,(H,21,22)(H,23,24)