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

Systemtic Name: 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoic acid Openeye Name: 3-[4-[(1-methyl-6-methylsulfanyl-benzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanyl-propanoic acid CAS Name: 3-[4-[[1-methyl-6-(methylthio)-2-benzimidazolyl]methoxy]phenyl]-2-(methylthio)propanoic acid IUPAC Name: 3-[4-[(1-methyl-6-methylsulfanylbenzimidazol-2-yl)methoxy]phenyl]-2-methylsulfanylpropanoic acid Traditional Name: 3-[4-[[1-methyl-6-(methylthio)benzimidazol-2-yl]methoxy]phenyl]-2-(methylthio)propionic acid 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)O)SC

Isomeric SMILES

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

InChI

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