(4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(1-oxidanylidene-1,3-thiazolidin-3-yl)carbonyl]pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-4-ethanoylsulfanyl-2-[(1-oxidanylidene-1,3-thiazolidin-3-yl)carbonyl]pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(1-oxo-1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-[oxo-(1-oxo-1,3-thiazolidin-3-yl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-(1-oxo-1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-(1-keto-1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H21N3O7S2 MolecularWeight: 455.50524

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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-])C(=O)N3CCS(=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(=O)N3CCS(=O)C3

InChI

InChI=1S/C18H21N3O7S2/c1-12(22)29-15-8-16(17(23)19-6-7-30(27)11-19)20(9-15)18(24)28-10-13-2-4-14(5-3-13)21(25)26/h2-5,15-16H,6-11H2,1H3/t15-,16-,30?/m0/s1