(4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(acetoxymethyl)-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-(acetyloxymethyl)-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(acetyloxymethyl)-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-(acetoxymethyl)-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H18N2O6S MolecularWeight: 354.37822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CC(=O)OCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H18N2O6S/c1-10(18)22-9-13-6-14(24)7-16(13)15(19)23-8-11-2-4-12(5-3-11)17(20)21/h2-5,13-14,24H,6-9H2,1H3