(4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(2-hydroxyethyloxymethyl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 4-ethanoylsulfanyl-2-(2-hydroxyethyloxymethyl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-(2-hydroxyethoxymethyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-(2-hydroxyethoxymethyl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCO

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])COCCO

InChI

InChI=1S/C17H22N2O7S/c1-12(21)27-16-8-15(11-25-7-6-20)18(9-16)17(22)26-10-13-2-4-14(5-3-13)19(23)24/h2-5,15-16,20H,6-11H2,1H3