(4-nitrophenyl)methyl (2S,4S)-2-[(4R)-2-oxidanylidenepiperidin-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4R)-2-oxidanylidenepiperidin-4-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4R)-2-oxo-4-piperidyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(4R)-2-oxo-4-piperidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-[(4R)-2-oxopiperidin-4-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-[(4R)-2-keto-4-piperidyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H21N3O5S MolecularWeight: 379.43074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)CC1C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CNC(=O)C[C@@H]1[C@@H]2C[C@@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C17H21N3O5S/c21-16-7-12(5-6-18-16)15-8-14(26)9-19(15)17(22)25-10-11-1-3-13(4-2-11)20(23)24/h1-4,12,14-15,26H,5-10H2,(H,18,21)/t12-,14+,15+/m1/s1