(4-nitrophenyl)methyl 2-(3-acetyloxypropyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(3-acetyloxypropyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(3-acetoxypropyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(3-acetyloxypropyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3-acetyloxypropyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(3-acetoxypropyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H22N2O6S MolecularWeight: 382.43138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(=O)OCCCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C17H22N2O6S/c1-12(20)24-8-2-3-15-9-16(26)10-18(15)17(21)25-11-13-4-6-14(7-5-13)19(22)23/h4-7,15-16,26H,2-3,8-11H2,1H3