(4-nitrophenyl)methyl (2S,4S)-2-(phenylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-(phenylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-(phenylsulfanylmethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[(phenylthio)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(phenylsulfanylmethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-4-mercapto-2-[(phenylthio)methyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H20N2O4S2 MolecularWeight: 404.5031

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1[C@@H](CN([C@@H]1CSC2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C19H20N2O4S2/c22-19(25-12-14-6-8-15(9-7-14)21(23)24)20-11-17(26)10-16(20)13-27-18-4-2-1-3-5-18/h1-9,16-17,26H,10-13H2/t16-,17-/m0/s1