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

Systemtic Name: methyl 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-sulfanyl-propanoate Openeye Name: methyl 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-sulfanyl-propanoate CAS Name: 2-mercapto-3-[4-[[1-methyl-6-(methylthio)-2-benzimidazolyl]methoxy]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(1-methyl-6-methylsulfanylbenzimidazol-2-yl)methoxy]phenyl]-2-sulfanylpropanoate Traditional Name: 2-mercapto-3-[4-[[1-methyl-6-(methylthio)benzimidazol-2-yl]methoxy]phenyl]propionic acid methyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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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)S

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O3S2/c1-22-17-11-15(27-3)8-9-16(17)21-19(22)12-25-14-6-4-13(5-7-14)10-18(26)20(23)24-2/h4-9,11,18,26H,10,12H2,1-3H3