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

Systemtic Name: 2-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylate CAS Name: 2-[(2-butyl-5,6-dimethyl-1-benzimidazolyl)methyl]-4-thiazolecarboxylate IUPAC Name: 2-[(2-butyl-5,6-dimethylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-butyl-5,6-dimethyl-benzimidazol-1-yl)methyl]thiazole-4-carboxylate Formula: C18H20N3O2S- MolecularWeight: 342.4353

Click to see the large picture

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)/p-1