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

Systemtic Name: (4-nitrophenyl)methyl 3-[[2-(3-ethanoylsulfanylazetidin-1-yl)-1,3-oxazol-4-yl]carbonylamino]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-[[2-(3-acetylsulfanylazetidin-1-yl)oxazole-4-carbonyl]amino]pyrrolidine-1-carboxylate CAS Name: 3-[[[2-[3-(acetylthio)-1-azetidinyl]-4-oxazolyl]-oxomethyl]amino]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-[[2-(3-acetylsulfanylazetidin-1-yl)-1,3-oxazole-4-carbonyl]amino]pyrrolidine-1-carboxylate Traditional Name: 3-[[2-[3-(acetylthio)azetidin-1-yl]oxazole-4-carbonyl]amino]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H23N5O7S MolecularWeight: 489.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CN(C1)C2=NC(=CO2)C(=O)NC3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CN(C1)C2=NC(=CO2)C(=O)NC3CCN(C3)C(=O)OCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O7S/c1-13(27)34-17-9-25(10-17)20-23-18(12-32-20)19(28)22-15-6-7-24(8-15)21(29)33-11-14-2-4-16(5-3-14)26(30)31/h2-5,12,15,17H,6-11H2,1H3,(H,22,28)