methyl 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoate

Systemtic Name: methyl 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoate Openeye Name: methyl 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoate CAS Name: 3-[4-[[1-methyl-6-(methylthio)-2-benzimidazolyl]methoxy]phenyl]-2-(methylthio)propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(1-methyl-6-methylsulfanylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanoate Traditional Name: 3-[4-[[1-methyl-6-(methylthio)benzimidazol-2-yl]methoxy]phenyl]-2-(methylthio)propionic acid methyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)SC)N=C1COC3=CC=C(C=C3)CC(C(=O)OC)SC

Isomeric SMILES

CN1C2=C(C=CC(=C2)SC)N=C1COC3=CC=C(C=C3)CC(C(=O)OC)SC

InChI

InChI=1S/C21H24N2O3S2/c1-23-18-12-16(27-3)9-10-17(18)22-20(23)13-26-15-7-5-14(6-8-15)11-19(28-4)21(24)25-2/h5-10,12,19H,11,13H2,1-4H3