(4-nitrophenyl)methyl 2-[1-(dimethylcarbamoyl)cyclopropyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[1-(dimethylcarbamoyl)cyclopropyl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-(dimethylcarbamoyl)cyclopropyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[1-[dimethylamino(oxo)methyl]cyclopropyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-(dimethylcarbamoyl)cyclopropyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[1-(dimethylcarbamoyl)cyclopropyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H25N3O6S MolecularWeight: 435.494

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-13(24)30-16-10-17(20(8-9-20)18(25)21(2)3)22(11-16)19(26)29-12-14-4-6-15(7-5-14)23(27)28/h4-7,16-17H,8-12H2,1-3H3