2-methyl-3-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid

Systemtic Name: 2-methyl-3-[4-[1-(6-oxidanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid Openeye Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioic S-acid CAS Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid IUPAC Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid Traditional Name: 3-[4-[1-(6-hydroxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-thiopropionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)O)C(=O)S

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)O)C(=O)S

InChI

InChI=1S/C19H20N2O3S/c1-11(19(23)25)9-13-3-6-15(7-4-13)24-12(2)18-20-16-8-5-14(22)10-17(16)21-18/h3-8,10-12,22H,9H2,1-2H3,(H,20,21)(H,23,25)