(4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2,5-bis(oxidanylidene)pyrrolidin-3-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2,5-dioxopyrrolidin-3-yl)methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2,5-dioxo-3-pyrrolidinyl)methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2,5-dioxopyrrolidin-3-yl)methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2,5-diketopyrrolidin-3-yl)methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O6S MolecularWeight: 393.41426

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC2CC(=O)NC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CC2CC(=O)NC2=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H19N3O6S/c21-15-6-11(16(22)18-15)5-13-7-14(27)8-19(13)17(23)26-9-10-1-3-12(4-2-10)20(24)25/h1-4,11,13-14,27H,5-9H2,(H,18,21,22)