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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

Isomeric SMILES

COCOCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H24N2O7S/c1-29-15-30-14-19-11-20(32-21(25)17-5-3-2-4-6-17)12-23(19)22(26)31-13-16-7-9-18(10-8-16)24(27)28/h2-10,19-20H,11-15H2,1H3