(4-nitrophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(2-keto-2-pyrrolidino-ethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H23N3O5S MolecularWeight: 393.45732

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CCN(C1)C(=O)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H23N3O5S/c22-17(19-7-1-2-8-19)10-15-9-16(27)11-20(15)18(23)26-12-13-3-5-14(6-4-13)21(24)25/h3-6,15-16,27H,1-2,7-12H2