methyl 4-[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]benzoate hydrobromide

Systemtic Name: methyl 4-[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylethanoyl]benzoate hydrobromide Openeye Name: methyl 4-[2-(5-methoxy-1-methyl-benzimidazol-2-yl)sulfanylacetyl]benzoate hydrobromide CAS Name: 4-[2-[(5-methoxy-1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 4-[2-(5-methoxy-1-methylbenzimidazol-2-yl)sulfanylacetyl]benzoate hydrobromide Traditional Name: 4-[2-[(5-methoxy-1-methyl-benzimidazol-2-yl)thio]acetyl]benzoic acid methyl ester hydrobromide Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=C(C=C3)C(=O)OC.Br

Isomeric SMILES

CN1C2=C(C=C(C=C2)OC)N=C1SCC(=O)C3=CC=C(C=C3)C(=O)OC.Br

InChI

InChI=1S/C19H18N2O4S.BrH/c1-21-16-9-8-14(24-2)10-15(16)20-19(21)26-11-17(22)12-4-6-13(7-5-12)18(23)25-3;/h4-10H,11H2,1-3H3;1H