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

Systemtic Name: methyl 2-[5-methoxy-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate hydrobromide Openeye Name: methyl 2-(1-benzyl-5-methoxy-benzimidazol-2-yl)sulfanylacetate hydrobromide CAS Name: 2-[[5-methoxy-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid methyl ester hydrobromide IUPAC Name: methyl 2-(1-benzyl-5-methoxybenzimidazol-2-yl)sulfanylacetate hydrobromide Traditional Name: 2-[(1-benzyl-5-methoxy-benzimidazol-2-yl)thio]acetic acid methyl ester hydrobromide Formula: C18H19BrN2O3S MolecularWeight: 423.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)OC)CC3=CC=CC=C3.Br

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCC(=O)OC)CC3=CC=CC=C3.Br

InChI

InChI=1S/C18H18N2O3S.BrH/c1-22-14-8-9-16-15(10-14)19-18(24-12-17(21)23-2)20(16)11-13-6-4-3-5-7-13;/h3-10H,11-12H2,1-2H3;1H