(4-nitrophenyl)methyl 2-(3-azanyl-1,2,4-oxadiazol-5-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-azanyl-1,2,4-oxadiazol-5-yl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(3-amino-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(3-amino-1,2,4-oxadiazol-5-yl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(3-amino-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(3-amino-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H17N5O6S MolecularWeight: 407.40108

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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-])C3=NC(=NO3)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=NO3)N

InChI

InChI=1S/C16H17N5O6S/c1-9(22)28-12-6-13(14-18-15(17)19-27-14)20(7-12)16(23)26-8-10-2-4-11(5-3-10)21(24)25/h2-5,12-13H,6-8H2,1H3,(H2,17,19)