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

Systemtic Name: methyl 2-[2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoyl]benzoate hydrobromide Openeye Name: methyl 2-[2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanylacetyl]benzoate hydrobromide CAS Name: 2-[2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]-1-oxoethyl]benzoic acid methyl ester hydrobromide IUPAC Name: methyl 2-[2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanylacetyl]benzoate hydrobromide Traditional Name: 2-[2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]acetyl]benzoic acid methyl ester hydrobromide Formula: C25H23BrN2O4S MolecularWeight: 527.43012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4.Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)C3=CC=CC=C3C(=O)OC)CC4=CC=CC=C4.Br

InChI

InChI=1S/C25H22N2O4S.BrH/c1-30-18-12-13-22-21(14-18)26-25(27(22)15-17-8-4-3-5-9-17)32-16-23(28)19-10-6-7-11-20(19)24(29)31-2;/h3-14H,15-16H2,1-2H3;1H