[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic 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] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [2-keto-2-[4-(2-thenoyl)piperazino]ethyl] ester Formula: C21H23N3O8S MolecularWeight: 477.48762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C21H23N3O8S/c1-3-31-17-12-15(24(28)29)14(11-16(17)30-2)21(27)32-13-19(25)22-6-8-23(9-7-22)20(26)18-5-4-10-33-18/h4-5,10-12H,3,6-9,13H2,1-2H3