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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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