(4-nitrophenyl)methyl (2S,4S)-2-[(1-oxidanylidene-1,3-thiazolidin-3-yl)carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4S)-2-[(1-oxidanylidene-1,3-thiazolidin-3-yl)carbonyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4S)-2-(1-oxo-1,3-thiazolidine-3-carbonyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: (2S,4S)-4-mercapto-2-[oxo-(1-oxo-1,3-thiazolidin-3-yl)methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4S)-2-(1-oxo-1,3-thiazolidine-3-carbonyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: (2S,4S)-2-(1-keto-1,3-thiazolidine-3-carbonyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H19N3O6S2 MolecularWeight: 413.46856

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CN1C(=O)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CS(=O)CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H19N3O6S2/c20-15(17-5-6-27(24)10-17)14-7-13(26)8-18(14)16(21)25-9-11-1-3-12(4-2-11)19(22)23/h1-4,13-14,26H,5-10H2/t13-,14-,27?/m0/s1