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

Systemtic Name: 3-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid Openeye Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid CAS Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-mercaptopropanoic acid IUPAC Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanylpropanoic acid Traditional Name: 3-[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)CC(C(=O)O)S

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O4S/c1-10(17-19-14-7-4-12(21)9-15(14)20-17)24-13-5-2-11(3-6-13)8-16(25)18(22)23/h2-7,9-10,16,21,25H,8H2,1H3,(H,19,20)(H,22,23)