[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)NC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)NCCCC(=O)OCC(=O)NC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O6S/c21-15(19-17(23)14-7-4-10-27-14)11-26-16(22)8-3-9-18-12-5-1-2-6-13(12)20(24)25/h1-2,4-7,10,18H,3,8-9,11H2,(H,19,21,23)