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

Systemtic Name: O-methyl 2-methyl-3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]propanethioate hydrochloride Openeye Name: O-methyl 2-methyl-3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]propanethioate hydrochloride CAS Name: 2-methyl-3-[4-[[1-methyl-6-(methylthio)-2-benzimidazolyl]methoxy]phenyl]propanethioic acid O-methyl ester hydrochloride IUPAC Name: O-methyl 2-methyl-3-[4-[(1-methyl-6-methylsulfanylbenzimidazol-2-yl)methoxy]phenyl]propanethioate hydrochloride Traditional Name: 2-methyl-3-[4-[[1-methyl-6-(methylthio)benzimidazol-2-yl]methoxy]phenyl]propanethioic acid O-methyl ester hydrochloride Formula: C21H25ClN2O2S2 MolecularWeight: 437.0184

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OCC2=NC3=C(N2C)C=C(C=C3)SC)C(=S)OC.Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)OCC2=NC3=C(N2C)C=C(C=C3)SC)C(=S)OC.Cl

InChI

InChI=1S/C21H24N2O2S2.ClH/c1-14(21(26)24-3)11-15-5-7-16(8-6-15)25-13-20-22-18-10-9-17(27-4)12-19(18)23(20)2;/h5-10,12,14H,11,13H2,1-4H3;1H