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

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(4S)-2-oxidanylidenepiperidin-4-yl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(4S)-2-oxo-4-piperidyl]pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[(4S)-2-oxo-4-piperidinyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-[(4S)-2-oxopiperidin-4-yl]pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-[(4S)-2-keto-4-piperidyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H23N3O6S MolecularWeight: 421.46742

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3CCNC(=O)C3

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])[C@H]3CCNC(=O)C3

InChI

InChI=1S/C19H23N3O6S/c1-12(23)29-16-9-17(14-6-7-20-18(24)8-14)21(10-16)19(25)28-11-13-2-4-15(5-3-13)22(26)27/h2-5,14,16-17H,6-11H2,1H3,(H,20,24)/t14-,16-,17-/m0/s1