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

Systemtic Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid Openeye Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]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)OC)OC3=CC=C(C=C3)C(C)(C(=O)O)S

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4S/c1-11(17-20-15-9-8-14(24-3)10-16(15)21-17)25-13-6-4-12(5-7-13)19(2,26)18(22)23/h4-11,26H,1-3H3,(H,20,21)(H,22,23)