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

Systemtic Name: 2-[(2-ethyl-5,6-dimethyl-benzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(2-ethyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylic acid CAS Name: 2-[(2-ethyl-5,6-dimethyl-1-benzimidazolyl)methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(2-ethyl-5,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[(2-ethyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylic acid Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=NC(=CS3)C(=O)O)C=C(C(=C2)C)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=NC(=CS3)C(=O)O)C=C(C(=C2)C)C

InChI

InChI=1S/C16H17N3O2S/c1-4-14-17-11-5-9(2)10(3)6-13(11)19(14)7-15-18-12(8-22-15)16(20)21/h5-6,8H,4,7H2,1-3H3,(H,20,21)