2-[[1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-[(3,4,5-trimethoxyphenyl)methyl]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-[(3,4,5-trimethoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(3,4,5-trimethoxybenzyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C25H24N2O5S MolecularWeight: 464.53346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C3=CC=CC=C3N=C2SCC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C25H24N2O5S/c1-30-21-12-16(13-22(31-2)23(21)32-3)14-27-20-11-7-6-10-19(20)26-25(27)33-15-17-8-4-5-9-18(17)24(28)29/h4-13H,14-15H2,1-3H3,(H,28,29)