(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1-methyl-4-oxidanylidene-azetidin-2-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(1-methyl-4-oxidanylidene-azetidin-2-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-methyl-4-oxo-azetidin-2-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-methyl-4-oxo-2-azetidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-methyl-4-oxoazetidin-2-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(4-keto-1-methyl-azetidin-2-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21N3O6S MolecularWeight: 407.44084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(=O)N3C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CC(=O)N3C

InChI

InChI=1S/C18H21N3O6S/c1-11(22)28-14-7-16(15-8-17(23)19(15)2)20(9-14)18(24)27-10-12-3-5-13(6-4-12)21(25)26/h3-6,14-16H,7-10H2,1-2H3