(4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-4-benzoyloxy-2-carbamothioyl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-benzoyloxy-2-carbamothioyl-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-4-benzoyloxy-2-carbamothioylpyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-benzoyloxy-2-thiocarbamoyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=S)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O6S/c21-18(30)17-10-16(29-19(24)14-4-2-1-3-5-14)11-22(17)20(25)28-12-13-6-8-15(9-7-13)23(26)27/h1-9,16-17H,10-12H2,(H2,21,30)/t16-,17+/m1/s1