dimethyl 3-methyl-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(4-benzylpiperazino)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O5S/c1-15-18(21(27)29-2)20(31-19(15)22(28)30-3)23-17(26)14-25-11-9-24(10-12-25)13-16-7-5-4-6-8-16/h4-8H,9-14H2,1-3H3,(H,23,26)