2-[2-(benzimidazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxylate

Systemtic Name: 2-[2-(benzimidazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxylate Openeye Name: 2-[2-(benzimidazol-1-ylmethyl)phenyl]thiazole-4-carboxylate CAS Name: 2-[2-(1-benzimidazolylmethyl)phenyl]-4-thiazolecarboxylate IUPAC Name: 2-[2-(benzimidazol-1-ylmethyl)phenyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[2-(benzimidazol-1-ylmethyl)phenyl]thiazole-4-carboxylate Formula: C18H12N3O2S- MolecularWeight: 334.37178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN2C=NC3=CC=CC=C32)C4=NC(=CS4)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CN2C=NC3=CC=CC=C32)C4=NC(=CS4)C(=O)[O-]

InChI

InChI=1S/C18H13N3O2S/c22-18(23)15-10-24-17(20-15)13-6-2-1-5-12(13)9-21-11-19-14-7-3-4-8-16(14)21/h1-8,10-11H,9H2,(H,22,23)/p-1