(4-nitrophenyl)methyl (2S,4S)-2-aminocarbonyl-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-aminocarbonyl-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-carbamoyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-(acetylthio)-2-carbamoyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-4-acetylsulfanyl-2-carbamoylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-(acetylthio)-2-carbamoyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H17N3O6S MolecularWeight: 367.37698

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O6S/c1-9(19)25-12-6-13(14(16)20)17(7-12)15(21)24-8-10-2-4-11(5-3-10)18(22)23/h2-5,12-13H,6-8H2,1H3,(H2,16,20)/t12-,13-/m0/s1