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

Systemtic Name: 4-methyl-2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-5-carboxylic acid Openeye Name: 2-[(2-isobutylbenzimidazol-1-yl)methyl]-4-methyl-thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[2-(2-methylpropyl)-1-benzimidazolyl]methyl]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-5-carboxylic acid Traditional Name: 2-[(2-isobutylbenzimidazol-1-yl)methyl]-4-methyl-thiazole-5-carboxylic acid Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CN2C3=CC=CC=C3N=C2CC(C)C)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)CN2C3=CC=CC=C3N=C2CC(C)C)C(=O)O

InChI

InChI=1S/C17H19N3O2S/c1-10(2)8-14-19-12-6-4-5-7-13(12)20(14)9-15-18-11(3)16(23-15)17(21)22/h4-7,10H,8-9H2,1-3H3,(H,21,22)