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

Systemtic Name: dimethyl 2-[2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(4-propan-2-yl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[[4-isopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CC(C)N1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C21H22N4O5S2/c1-12(2)25-18(16-6-5-9-31-16)23-24-21(25)32-11-17(26)22-15-10-13(19(27)29-3)7-8-14(15)20(28)30-4/h5-10,12H,11H2,1-4H3,(H,22,26)