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

Systemtic Name: 2-[[2-(methoxymethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[2-(methoxymethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]thiazole-4-carboxylic acid CAS Name: 2-[[2-(methoxymethyl)-5,6-dimethyl-1-benzimidazolyl]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[2-(methoxymethyl)-5,6-dimethylbenzimidazol-1-yl]methyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[2-(methoxymethyl)-5,6-dimethyl-benzimidazol-1-yl]methyl]thiazole-4-carboxylic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-9-4-11-13(5-10(9)2)19(14(17-11)7-22-3)6-15-18-12(8-23-15)16(20)21/h4-5,8H,6-7H2,1-3H3,(H,20,21)