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

Systemtic Name: dimethyl 5-[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N4O5S2 MolecularWeight: 432.47344

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=N2)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C18H16N4O5S2/c1-26-16(24)10-6-11(17(25)27-2)8-12(7-10)19-14(23)9-29-18-20-15(21-22-18)13-4-3-5-28-13/h3-8H,9H2,1-2H3,(H,19,23)(H,20,21,22)