(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-ethylbenzotriazole-5-carboxylate CAS Name: 1-ethyl-5-benzotriazolecarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-ethylbenzotriazole-5-carboxylate Traditional Name: 1-ethylbenzotriazole-5-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C16H13N5O3S MolecularWeight: 355.37112

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)N=N1

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4)N=N1

InChI

InChI=1S/C16H13N5O3S/c1-2-21-12-6-5-10(8-11(12)18-20-21)16(22)23-9-14-17-15(19-24-14)13-4-3-7-25-13/h3-8H,2,9H2,1H3