(4-nitrophenyl)methyl 3-(2-hydroxyethyl)-2-methyl-2-(2-oxidanylideneimidazolidin-1-yl)-4-sulfanyl-pyrrolidine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)CCO)N3CCNC3=O

Isomeric SMILES

CC1(C(C(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S)CCO)N3CCNC3=O

InChI

InChI=1S/C18H24N4O6S/c1-18(20-8-7-19-16(20)24)14(6-9-23)15(29)10-21(18)17(25)28-11-12-2-4-13(5-3-12)22(26)27/h2-5,14-15,23,29H,6-11H2,1H3,(H,19,24)