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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-2-oxidanylidene-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-2-oxo-ethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 4-mercapto-2-[2-(methylamino)-2-oxoethyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-2-oxoethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[2-keto-2-(methylamino)ethyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

CNC(=O)CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H19N3O5S/c1-16-14(19)7-12-6-13(24)8-17(12)15(20)23-9-10-2-4-11(5-3-10)18(21)22/h2-5,12-13,24H,6-9H2,1H3,(H,16,19)