O4-methyl O2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester O4-methyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)C)C(=O)OC

InChI

InChI=1S/C21H25N3O6S/c1-4-14-17(20(27)29-3)13(2)18(22-14)21(28)30-12-16(25)23-7-9-24(10-8-23)19(26)15-6-5-11-31-15/h5-6,11,22H,4,7-10,12H2,1-3H3