(4-nitrophenyl)methyl 2-[[2-(methylamino)-2-oxidanylidene-ethoxy]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[[2-(methylamino)-2-oxidanylidene-ethoxy]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[[2-(methylamino)-2-oxo-ethoxy]methyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[[2-(methylamino)-2-oxoethoxy]methyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[[2-(methylamino)-2-oxoethoxy]methyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[2-keto-2-(methylamino)ethoxy]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N3O6S MolecularWeight: 383.41944

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CNC(=O)COCC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C16H21N3O6S/c1-17-15(20)10-24-9-13-6-14(26)7-18(13)16(21)25-8-11-2-4-12(5-3-11)19(22)23/h2-5,13-14,26H,6-10H2,1H3,(H,17,20)