2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(2-isobutylbenzimidazol-1-yl)methyl]thiazole-4-carboxylate CAS Name: 2-[[2-(2-methylpropyl)-1-benzimidazolyl]methyl]-4-thiazolecarboxylate IUPAC Name: 2-[[2-(2-methylpropyl)benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-isobutylbenzimidazol-1-yl)methyl]thiazole-4-carboxylate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2N1CC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2N1CC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-10(2)7-14-17-11-5-3-4-6-13(11)19(14)8-15-18-12(9-22-15)16(20)21/h3-6,9-10H,7-8H2,1-2H3,(H,20,21)/p-1