2-[[5,6-dimethyl-1-(2-phenoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[5,6-dimethyl-1-(2-phenoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[5,6-dimethyl-1-(2-phenoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[5,6-dimethyl-1-(2-phenoxyethyl)-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[5,6-dimethyl-1-(2-phenoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[5,6-dimethyl-1-(2-phenoxyethyl)benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C25H24N2O3S MolecularWeight: 432.53466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)SCC3=CC=CC=C3C(=O)O)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H24N2O3S/c1-17-14-22-23(15-18(17)2)27(12-13-30-20-9-4-3-5-10-20)25(26-22)31-16-19-8-6-7-11-21(19)24(28)29/h3-11,14-15H,12-13,16H2,1-2H3,(H,28,29)