[4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-sulfanylpropanoate

Systemtic Name: [4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-sulfanylpropanoate Openeye Name: [4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-sulfanylpropanoate CAS Name: 2-mercaptopropanoic acid [4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl] ester IUPAC Name: [4-[1-(6-methylsulfanyl-1H-benzimidazol-2-yl)ethoxy]phenyl] 2-sulfanylpropanoate Traditional Name: 2-mercaptopropionic acid [4-[1-[6-(methylthio)-1H-benzimidazol-2-yl]ethoxy]phenyl] ester 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)OC(=O)C(C)S

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S2/c1-11(18-20-16-9-8-15(26-3)10-17(16)21-18)23-13-4-6-14(7-5-13)24-19(22)12(2)25/h4-12,25H,1-3H3,(H,20,21)