[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-(4-nitrophenyl)furan-2-carboxylate CAS Name: 5-(4-nitrophenyl)-2-furancarboxylic acid [2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 5-(4-nitrophenyl)furan-2-carboxylate Traditional Name: 5-(4-nitrophenyl)furan-2-carboxylic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C22H19N3O7S MolecularWeight: 469.46716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H19N3O7S/c26-20(23-9-11-24(12-10-23)21(27)19-2-1-13-33-19)14-31-22(28)18-8-7-17(32-18)15-3-5-16(6-4-15)25(29)30/h1-8,13H,9-12,14H2