2-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(2-isobutyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylic acid CAS Name: 2-[[5,6-dimethyl-2-(2-methylpropyl)-1-benzimidazolyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[5,6-dimethyl-2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(2-isobutyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylic acid Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N(C(=N2)CC(C)C)CC3=NC(=CS3)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)N(C(=N2)CC(C)C)CC3=NC(=CS3)C(=O)O

InChI

InChI=1S/C18H21N3O2S/c1-10(2)5-16-19-13-6-11(3)12(4)7-15(13)21(16)8-17-20-14(9-24-17)18(22)23/h6-7,9-10H,5,8H2,1-4H3,(H,22,23)