(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(4-oxidanylideneazetidin-2-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(4-oxidanylideneazetidin-2-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-oxoazetidin-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(4-oxo-2-azetidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(4-oxoazetidin-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(4-ketoazetidin-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(=O)N3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(=O)N3

InChI

InChI=1S/C17H19N3O6S/c1-10(21)27-13-6-15(14-7-16(22)18-14)19(8-13)17(23)26-9-11-2-4-12(5-3-11)20(24)25/h2-5,13-15H,6-9H2,1H3,(H,18,22)