[2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 4-(2-thienylsulfonylamino)butanoate CAS Name: 4-(thiophen-2-ylsulfonylamino)butanoic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: 4-(2-thienylsulfonylamino)butyric acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C17H17N3O8S2 MolecularWeight: 455.46218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)COC(=O)CCCNS(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC(=O)COC(=O)CCCNS(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C17H17N3O8S2/c21-14(19-17(23)12-4-1-5-13(10-12)20(24)25)11-28-15(22)6-2-8-18-30(26,27)16-7-3-9-29-16/h1,3-5,7,9-10,18H,2,6,8,11H2,(H,19,21,23)