(4-nitrophenyl)methyl 2-(5-oxidanylidenepyrrolidin-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(5-oxidanylidenepyrrolidin-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(5-oxopyrrolidin-3-yl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-(5-oxo-3-pyrrolidinyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(5-oxopyrrolidin-3-yl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(5-ketopyrrolidin-3-yl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2CC(=O)NC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2CC(=O)NC2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H19N3O5S/c20-15-5-11(7-17-15)14-6-13(25)8-18(14)16(21)24-9-10-1-3-12(4-2-10)19(22)23/h1-4,11,13-14,25H,5-9H2,(H,17,20)