(4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-4-(phenylcarbonylsulfanyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxo-ethyl)sulfanylmethyl]-4-benzoylsulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(2-amino-2-oxoethyl)thio]methyl]-4-(benzoylthio)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxoethyl)sulfanylmethyl]-4-benzoylsulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[(2-amino-2-keto-ethyl)thio]methyl]-4-(benzoylthio)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C(CN(C1CSCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O6S2/c23-20(26)14-32-13-18-10-19(33-21(27)16-4-2-1-3-5-16)11-24(18)22(28)31-12-15-6-8-17(9-7-15)25(29)30/h1-9,18-19H,10-14H2,(H2,23,26)