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

Systemtic Name: (4-nitrophenyl)methyl 4-[[2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]piperidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-[[2-(3-acetylsulfanylazetidin-1-yl)thiazole-4-carbonyl]amino]piperidine-1-carboxylate CAS Name: 4-[[[2-[3-(acetylthio)-1-azetidinyl]-4-thiazolyl]-oxomethyl]amino]-1-piperidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-[[2-(3-acetylsulfanylazetidin-1-yl)-1,3-thiazole-4-carbonyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-[3-(acetylthio)azetidin-1-yl]thiazole-4-carbonyl]amino]piperidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H25N5O6S2 MolecularWeight: 519.5938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)NC3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)NC3CCN(CC3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O6S2/c1-14(28)35-18-10-26(11-18)21-24-19(13-34-21)20(29)23-16-6-8-25(9-7-16)22(30)33-12-15-2-4-17(5-3-15)27(31)32/h2-5,13,16,18H,6-12H2,1H3,(H,23,29)