(4-nitrophenyl)methyl 2-ethanoylsulfanylpyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-ethanoylsulfanylpyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-acetylsulfanylpyrrolidine-1-carboxylate CAS Name: 2-(acetylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-acetylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(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)SC1CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O5S/c1-10(17)22-13-3-2-8-15(13)14(18)21-9-11-4-6-12(7-5-11)16(19)20/h4-7,13H,2-3,8-9H2,1H3