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

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(phenylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-benzyl-pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(phenylmethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-benzylpyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-benzyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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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-])CC3=CC=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O5S/c1-15(24)29-20-12-19(11-16-5-3-2-4-6-16)22(13-20)21(25)28-14-17-7-9-18(10-8-17)23(26)27/h2-10,19-20H,11-14H2,1H3