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

Systemtic Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioic S-acid Openeye Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-propanethioic S-acid CAS Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid IUPAC Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methylpropanethioic S-acid Traditional Name: 2-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]-2-methyl-thiopropionic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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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)C(=O)S

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S/c1-12(18-21-16-10-9-15(24-4)11-17(16)22-18)25-14-7-5-13(6-8-14)20(2,3)19(23)26/h5-12H,1-4H3,(H,21,22)(H,23,26)