(4-nitrophenyl)methyl 2-(dimethoxymethyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(dimethoxymethyl)-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(dimethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(benzoylthio)-2-(dimethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-benzoylsulfanyl-2-(dimethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(benzoylthio)-2-(dimethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC(C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C22H24N2O7S/c1-29-21(30-2)19-12-18(32-20(25)16-6-4-3-5-7-16)13-23(19)22(26)31-14-15-8-10-17(11-9-15)24(27)28/h3-11,18-19,21H,12-14H2,1-2H3