(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(1-tert-butoxycarbonylpyrrolidin-3-yl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(1-tert-butoxycarbonylpyrrolidin-3-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H31N3O7S MolecularWeight: 493.57314

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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-])C3CCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H31N3O7S/c1-15(27)34-19-11-20(17-9-10-24(12-17)21(28)33-23(2,3)4)25(13-19)22(29)32-14-16-5-7-18(8-6-16)26(30)31/h5-8,17,19-20H,9-14H2,1-4H3