(4-nitrophenyl)methyl 4-[[2-(3-oxidanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-[[2-(3-oxidanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-(3-hydroxy-1-azetidinyl)-4-thiazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(3-hydroxyazetidin-1-yl)thiazole-4-carbonyl]amino]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H23N5O6S MolecularWeight: 461.49152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CSC(=N2)N3CC(C3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CSC(=N2)N3CC(C3)O)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O6S/c26-16-9-24(10-16)19-22-17(12-32-19)18(27)21-14-5-7-23(8-6-14)20(28)31-11-13-1-3-15(4-2-13)25(29)30/h1-4,12,14,16,26H,5-11H2,(H,21,27)