(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-pentyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(5-tert-butoxy-5-oxo-pentyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[5-[(2-methylpropan-2-yl)oxy]-5-oxopentyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(5-tert-butoxy-5-keto-pentyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C23H32N2O7S MolecularWeight: 480.57438

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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-])CCCCC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O7S/c1-16(26)33-20-13-19(7-5-6-8-21(27)32-23(2,3)4)24(14-20)22(28)31-15-17-9-11-18(12-10-17)25(29)30/h9-12,19-20H,5-8,13-15H2,1-4H3