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

Systemtic Name: 3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid Openeye Name: 3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanyl-propanoic acid CAS Name: 2-mercapto-3-[4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl]propanoic acid IUPAC Name: 3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-sulfanylpropanoic acid Traditional Name: 2-mercapto-3-[4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl]propionic acid Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-11(18-20-15-8-7-14(26-2)10-16(15)21-18)24-13-5-3-12(4-6-13)9-17(25)19(22)23/h3-8,10-11,17,25H,9H2,1-2H3,(H,20,21)(H,22,23)