(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-pyrrol-1-ylcarbonyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-pyrrol-1-ylcarbonyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(pyrrole-1-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[oxo(1-pyrrolyl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(pyrrole-1-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(pyrrole-1-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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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(=O)N3C=CC=C3

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N3C=CC=C3

InChI

InChI=1S/C19H19N3O6S/c1-13(23)29-16-10-17(18(24)20-8-2-3-9-20)21(11-16)19(25)28-12-14-4-6-15(7-5-14)22(26)27/h2-9,16-17H,10-12H2,1H3