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

Systemtic Name: dimethyl 2-[2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(5-cyclopentyl-4-methyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H24N4O5S MolecularWeight: 432.49336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3CCCC3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)C3CCCC3

InChI

InChI=1S/C20H24N4O5S/c1-24-17(12-6-4-5-7-12)22-23-20(24)30-11-16(25)21-15-10-13(18(26)28-2)8-9-14(15)19(27)29-3/h8-10,12H,4-7,11H2,1-3H3,(H,21,25)