dimethyl 5-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-[4-(2-thienylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[4-(2-thenyl)piperazino]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H25N3O5S/c1-28-20(26)15-10-16(21(27)29-2)12-17(11-15)22-19(25)14-24-7-5-23(6-8-24)13-18-4-3-9-30-18/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,22,25)