(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[oxidanyl(phenyl)methyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[oxidanyl(phenyl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[hydroxy(phenyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy(phenyl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[hydroxy(phenyl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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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-])C(C3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O6S/c1-14(24)30-18-11-19(20(25)16-5-3-2-4-6-16)22(12-18)21(26)29-13-15-7-9-17(10-8-15)23(27)28/h2-10,18-20,25H,11-13H2,1H3