(4-nitrophenyl)methyl 3-ethanoylsulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethanoylsulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetylsulfanylpyrrolidine-1-carboxylate CAS Name: 3-(acetylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-acetylsulfanylpyrrolidine-1-carboxylate Traditional Name: 3-(acetylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H16N2O5S MolecularWeight: 324.35224

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCN(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-10(17)22-13-6-7-15(8-13)14(18)21-9-11-2-4-12(5-3-11)16(19)20/h2-5,13H,6-9H2,1H3