(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(phenoxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(phenoxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(phenoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(phenoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(phenoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(phenoxymethyl)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-])COC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COC3=CC=CC=C3

InChI

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