dimethyl 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C16H18N4O5S MolecularWeight: 378.40292

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C16H18N4O5S/c1-4-20-9-17-19-16(20)26-8-13(21)18-12-7-10(14(22)24-2)5-6-11(12)15(23)25-3/h5-7,9H,4,8H2,1-3H3,(H,18,21)