2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[(2-butylbenzimidazol-1-yl)methyl]thiazole-4-carboxylate CAS Name: 2-[(2-butyl-1-benzimidazolyl)methyl]-4-thiazolecarboxylate IUPAC Name: 2-[(2-butylbenzimidazol-1-yl)methyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[(2-butylbenzimidazol-1-yl)methyl]thiazole-4-carboxylate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2N1CC3=NC(=CS3)C(=O)[O-]

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2N1CC3=NC(=CS3)C(=O)[O-]

InChI

InChI=1S/C16H17N3O2S/c1-2-3-8-14-17-11-6-4-5-7-13(11)19(14)9-15-18-12(10-22-15)16(20)21/h4-7,10H,2-3,8-9H2,1H3,(H,20,21)/p-1