(4-nitrophenyl)methyl 4-oxidanyl-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-oxidanyl-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-hydroxy-2-(4-pyridylsulfanylmethyl)pyrrolidine-1-carboxylate CAS Name: 4-hydroxy-2-[(pyridin-4-ylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-hydroxy-2-(pyridin-4-ylsulfanylmethyl)pyrrolidine-1-carboxylate Traditional Name: 4-hydroxy-2-[(4-pyridylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CSC2=CC=NC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C18H19N3O5S/c22-16-9-15(12-27-17-5-7-19-8-6-17)20(10-16)18(23)26-11-13-1-3-14(4-2-13)21(24)25/h1-8,15-16,22H,9-12H2