[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 2-(3-pyridyl)-3H-benzimidazole-5-carboxylate CAS Name: 2-(3-pyridinyl)-3H-benzimidazole-5-carboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-pyridin-3-yl-3H-benzimidazole-5-carboxylate Traditional Name: 2-(3-pyridyl)-3H-benzimidazole-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

Isomeric SMILES

C1=CC(=CN=C1)C2=NC3=C(N2)C=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4

InChI

InChI=1S/C20H16N4O3S/c25-18(22-11-15-4-2-8-28-15)12-27-20(26)13-5-6-16-17(9-13)24-19(23-16)14-3-1-7-21-10-14/h1-10H,11-12H2,(H,22,25)(H,23,24)