(4-nitrophenyl)methyl 2-(oxiran-2-ylmethylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(oxiran-2-ylmethylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(oxiran-2-ylmethylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 2-[(2-oxiranylmethylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(oxiran-2-ylmethylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: 2-[(glycidylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CSCC3CO3

Isomeric SMILES

C1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])CSCC3CO3

InChI

InChI=1S/C16H20N2O5S/c19-16(23-8-12-3-5-13(6-4-12)18(20)21)17-7-1-2-14(17)10-24-11-15-9-22-15/h3-6,14-15H,1-2,7-11H2