[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C16H16N4O3S MolecularWeight: 344.38824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CS3)N=N1

InChI

InChI=1S/C16H16N4O3S/c1-2-20-14-6-5-11(8-13(14)18-19-20)16(22)23-10-15(21)17-9-12-4-3-7-24-12/h3-8H,2,9-10H2,1H3,(H,17,21)