(4-nitrophenyl)methyl 2-[[3-(2-hydroxyethyl)-2-oxidanylidene-imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[3-(2-hydroxyethyl)-2-oxidanylidene-imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[3-(2-hydroxyethyl)-2-oxo-imidazolidin-1-yl]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[3-(2-hydroxyethyl)-2-oxo-1-imidazolidinyl]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[3-(2-hydroxyethyl)-2-oxoimidazolidin-1-yl]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[3-(2-hydroxyethyl)-2-keto-imidazolidin-1-yl]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H24N4O6S MolecularWeight: 424.47136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1CCO)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1CN(C(=O)N1CCO)CC2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C18H24N4O6S/c23-8-7-19-5-6-20(17(19)24)10-15-9-16(29)11-21(15)18(25)28-12-13-1-3-14(4-2-13)22(26)27/h1-4,15-16,23,29H,5-12H2