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

Systemtic Name: 2-methyl-2-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid Openeye Name: 2-methyl-2-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid CAS Name: 2-methyl-2-[4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl]propanethioic S-acid IUPAC Name: 2-methyl-2-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid Traditional Name: 2-methyl-2-[4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl]thiopropionic acid Formula: C20H22N2O2S2 MolecularWeight: 386.53088

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S2/c1-12(18-21-16-10-9-15(26-4)11-17(16)22-18)24-14-7-5-13(6-8-14)20(2,3)19(23)25/h5-12H,1-4H3,(H,21,22)(H,23,25)