dimethyl 2-[2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylthio)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-([1,2,4]triazolo[3,4-b][1,3,4]oxadiazol-6-ylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C15H13N5O6S MolecularWeight: 391.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN3C=NN=C3O2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NN3C=NN=C3O2

InChI

InChI=1S/C15H13N5O6S/c1-24-12(22)8-3-4-9(13(23)25-2)10(5-8)17-11(21)6-27-15-19-20-7-16-18-14(20)26-15/h3-5,7H,6H2,1-2H3,(H,17,21)