(4-nitrophenyl)methyl (2S,4R)-2-(2-azanyl-2-sulfanylidene-ethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-azanyl-2-sulfanylidene-ethyl)-4-(phenylcarbonyloxy)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-amino-2-thioxo-ethyl)-4-benzoyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(2-amino-2-sulfanylideneethyl)-4-benzoyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-amino-2-sulfanylideneethyl)-4-benzoyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(2-amino-2-thioxo-ethyl)-4-benzoyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CC(=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]1CC(=S)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O6S/c22-19(31)11-17-10-18(30-20(25)15-4-2-1-3-5-15)12-23(17)21(26)29-13-14-6-8-16(9-7-14)24(27)28/h1-9,17-18H,10-13H2,(H2,22,31)/t17-,18+/m0/s1