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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-[naphthalen-2-yl(oxidanyl)methyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy(2-naphthyl)methyl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[hydroxy(2-naphthalenyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[hydroxy(naphthalen-2-yl)methyl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[hydroxy(2-naphthyl)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C25H24N2O6S MolecularWeight: 480.53286

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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=CC4=CC=CC=C4C=C3)O

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(C3=CC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C25H24N2O6S/c1-16(28)34-22-13-23(24(29)20-9-8-18-4-2-3-5-19(18)12-20)26(14-22)25(30)33-15-17-6-10-21(11-7-17)27(31)32/h2-12,22-24,29H,13-15H2,1H3