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

Systemtic Name: [2-[(3-nitrophenyl)carbonylamino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-[(3-nitrobenzoyl)amino]-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [2-[[(3-nitrophenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-nitrobenzoyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-keto-2-[(3-nitrobenzoyl)amino]ethyl] ester Formula: C16H15N3O8S2 MolecularWeight: 441.4356

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O8S2/c20-13(18-16(22)11-3-1-4-12(9-11)19(23)24)10-27-14(21)6-7-17-29(25,26)15-5-2-8-28-15/h1-5,8-9,17H,6-7,10H2,(H,18,20,22)