(4-nitrophenyl)methyl 2-(1-aminocarbonylcyclopropyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(1-aminocarbonylcyclopropyl)-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-carbamoylcyclopropyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(1-carbamoylcyclopropyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-carbamoylcyclopropyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-carbamoylcyclopropyl)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-])C3(CC3)C(=O)N

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3(CC3)C(=O)N

InChI

InChI=1S/C18H21N3O6S/c1-11(22)28-14-8-15(18(6-7-18)16(19)23)20(9-14)17(24)27-10-12-2-4-13(5-3-12)21(25)26/h2-5,14-15H,6-10H2,1H3,(H2,19,23)