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

Systemtic Name: (4-nitrophenyl)methyl 3-[[2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-thiazol-4-yl]carbonylamino]azetidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-[[2-(3-acetylsulfanylazetidin-1-yl)thiazole-4-carbonyl]amino]azetidine-1-carboxylate CAS Name: 3-[[[2-[3-(acetylthio)-1-azetidinyl]-4-thiazolyl]-oxomethyl]amino]-1-azetidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[[2-(3-acetylsulfanylazetidin-1-yl)-1,3-thiazole-4-carbonyl]amino]azetidine-1-carboxylate Traditional Name: 3-[[2-[3-(acetylthio)azetidin-1-yl]thiazole-4-carbonyl]amino]azetidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H21N5O6S2 MolecularWeight: 491.54064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)NC3CN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CS2)C(=O)NC3CN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O6S2/c1-12(26)33-16-8-23(9-16)19-22-17(11-32-19)18(27)21-14-6-24(7-14)20(28)31-10-13-2-4-15(5-3-13)25(29)30/h2-5,11,14,16H,6-10H2,1H3,(H,21,27)