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

Systemtic Name: 2-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylic acid CAS Name: 2-[(2-butyl-5,6-dimethyl-1-benzimidazolyl)methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(2-butyl-5,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(2-butyl-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:

CCCCC1=NC2=C(N1CC3=NC(=CS3)C(=O)O)C=C(C(=C2)C)C

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=NC(=CS3)C(=O)O)C=C(C(=C2)C)C

InChI

InChI=1S/C18H21N3O2S/c1-4-5-6-16-19-13-7-11(2)12(3)8-15(13)21(16)9-17-20-14(10-24-17)18(22)23/h7-8,10H,4-6,9H2,1-3H3,(H,22,23)