dimethyl 5-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C17H20N4O5S MolecularWeight: 392.4295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O5S/c1-5-21-10(2)19-20-17(21)27-9-14(22)18-13-7-11(15(23)25-3)6-12(8-13)16(24)26-4/h6-8H,5,9H2,1-4H3,(H,18,22)