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

Systemtic Name: (4-nitrophenyl)methyl 2-(4-oxidanylideneazetidin-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(4-oxoazetidin-2-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(4-oxo-2-azetidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(4-oxoazetidin-2-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(4-ketoazetidin-2-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2CC(=O)N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2CC(=O)N2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C15H17N3O5S/c19-14-6-12(16-14)13-5-11(24)7-17(13)15(20)23-8-9-1-3-10(4-2-9)18(21)22/h1-4,11-13,24H,5-8H2,(H,16,19)