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

Systemtic Name: 2-[[1-(2-hydroxyethyl)-5,6-dimethyl-benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-(2-hydroxyethyl)-5,6-dimethyl-benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-(2-hydroxyethyl)-5,6-dimethyl-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-(2-hydroxyethyl)-5,6-dimethylbenzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-(2-hydroxyethyl)-5,6-dimethyl-benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O3S/c1-12-9-16-17(10-13(12)2)21(7-8-22)19(20-16)25-11-14-5-3-4-6-15(14)18(23)24/h3-6,9-10,22H,7-8,11H2,1-2H3,(H,23,24)