2-[2-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]-1,3-thiazol-4-yl]ethanoate

Systemtic Name: 2-[2-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]-1,3-thiazol-4-yl]ethanoate Openeye Name: 2-[2-[[2-(1-ethylpropyl)benzimidazol-1-yl]methyl]thiazol-4-yl]acetate CAS Name: 2-[2-[(2-pentan-3-yl-1-benzimidazolyl)methyl]-4-thiazolyl]acetate IUPAC Name: 2-[2-[(2-pentan-3-ylbenzimidazol-1-yl)methyl]-1,3-thiazol-4-yl]acetate Traditional Name: 2-[2-[[2-(1-ethylpropyl)benzimidazol-1-yl]methyl]thiazol-4-yl]acetate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NC2=CC=CC=C2N1CC3=NC(=CS3)CC(=O)[O-]

Isomeric SMILES

CCC(CC)C1=NC2=CC=CC=C2N1CC3=NC(=CS3)CC(=O)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-3-12(4-2)18-20-14-7-5-6-8-15(14)21(18)10-16-19-13(11-24-16)9-17(22)23/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,22,23)/p-1