dimethyl 5-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(1-thiophen-2-ylcarbonylpiperidin-4-yl)carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[1-(2-thenoyl)isonipecotoyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)C2CCN(CC2)C(=O)C3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H22N2O6S/c1-28-20(26)14-10-15(21(27)29-2)12-16(11-14)22-18(24)13-5-7-23(8-6-13)19(25)17-4-3-9-30-17/h3-4,9-13H,5-8H2,1-2H3,(H,22,24)