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

Systemtic Name: 2-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid Openeye Name: 2-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid CAS Name: 2-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-mercaptopropanoic acid IUPAC Name: 2-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanylpropanoic acid Traditional Name: 2-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-mercapto-propionic acid Formula: C18H18N2O4S MolecularWeight: 358.41152

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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)C(C)(C(=O)O)S

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-10(16-19-14-8-5-12(21)9-15(14)20-16)24-13-6-3-11(4-7-13)18(2,25)17(22)23/h3-10,21,25H,1-2H3,(H,19,20)(H,22,23)