8-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-thiophen-3-yl-imidazo[1,2-a]pyridine-3-carboxylic acid

Systemtic Name: 8-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-thiophen-3-yl-imidazo[1,2-a]pyridine-3-carboxylic acid Openeye Name: 8-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-(3-thienyl)imidazo[1,2-a]pyridine-3-carboxylic acid CAS Name: 8-[(3H-benzimidazol-5-ylmethylamino)-oxomethyl]-2-(3-thiophenyl)-3-imidazo[1,2-a]pyridinecarboxylic acid IUPAC Name: 8-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-thiophen-3-ylimidazo[1,2-a]pyridine-3-carboxylic acid Traditional Name: 8-(3H-benzimidazol-5-ylmethylcarbamoyl)-2-(3-thienyl)imidazo[1,2-a]pyridine-3-carboxylic acid Formula: C21H15N5O3S MolecularWeight: 417.4405

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN2C(=C(N=C2C(=C1)C(=O)NCC3=CC4=C(C=C3)N=CN4)C5=CSC=C5)C(=O)O

Isomeric SMILES

C1=CN2C(=C(N=C2C(=C1)C(=O)NCC3=CC4=C(C=C3)N=CN4)C5=CSC=C5)C(=O)O

InChI

InChI=1S/C21H15N5O3S/c27-20(22-9-12-3-4-15-16(8-12)24-11-23-15)14-2-1-6-26-18(21(28)29)17(25-19(14)26)13-5-7-30-10-13/h1-8,10-11H,9H2,(H,22,27)(H,23,24)(H,28,29)