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

Systemtic Name: 2-methyl-3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid Openeye Name: 2-methyl-3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid CAS Name: 2-methyl-3-[4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl]propanethioic S-acid IUPAC Name: 2-methyl-3-[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl]propanethioic S-acid Traditional Name: 2-methyl-3-[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(CC1=CC=C(C=C1)OC(C)C2=NC3=C(N2)C=C(C=C3)SC)C(=O)S

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O2S2/c1-12(20(23)25)10-14-4-6-15(7-5-14)24-13(2)19-21-17-9-8-16(26-3)11-18(17)22-19/h4-9,11-13H,10H2,1-3H3,(H,21,22)(H,23,25)