[2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpyrrolidine-2-carboxylate Openeye Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxylic acid [2-[4-(4-nitrophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl] 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-thenoyl)pyrrolidine-2-carboxylic acid [2-keto-2-[4-(4-nitrophenyl)piperazino]ethyl] ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=CS2)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6S/c27-20(24-12-10-23(11-13-24)16-5-7-17(8-6-16)26(30)31)15-32-22(29)18-3-1-9-25(18)21(28)19-4-2-14-33-19/h2,4-8,14,18H,1,3,9-13,15H2