dimethyl 2-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(2H-triazol-4-ylthio)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(2H-triazol-4-ylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C14H14N4O5S MolecularWeight: 350.34976

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NNN=C2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)CSC2=NNN=C2

InChI

InChI=1S/C14H14N4O5S/c1-22-13(20)8-3-4-9(14(21)23-2)10(5-8)16-11(19)7-24-12-6-15-18-17-12/h3-6H,7H2,1-2H3,(H,16,19)(H,15,17,18)