dimethyl 5-[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[2-furylmethyl(2-thienylmethyl)amino]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-[2-furanylmethyl(thiophen-2-ylmethyl)amino]-1-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[2-furfuryl(2-thenyl)amino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H22N2O6S MolecularWeight: 442.48488

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CC2=CC=CO2)CC3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN(CC2=CC=CO2)CC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C22H22N2O6S/c1-28-21(26)15-9-16(22(27)29-2)11-17(10-15)23-20(25)14-24(12-18-5-3-7-30-18)13-19-6-4-8-31-19/h3-11H,12-14H2,1-2H3,(H,23,25)