(4-nitrophenyl)methyl 3-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-benzoylsulfanylpyrrolidine-1-carboxylate CAS Name: 3-(benzoylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-benzoylsulfanylpyrrolidine-1-carboxylate Traditional Name: 3-(benzoylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1SC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC1SC(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c22-18(15-4-2-1-3-5-15)27-17-10-11-20(12-17)19(23)26-13-14-6-8-16(9-7-14)21(24)25/h1-9,17H,10-13H2