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

Systemtic Name: (4-nitrophenyl)methyl 2-[(2-azanyl-2-oxidanylidene-ethyl)sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxo-ethyl)sulfanylmethyl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[[(2-amino-2-oxoethyl)thio]methyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[(2-amino-2-oxoethyl)sulfanylmethyl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[[(2-amino-2-keto-ethyl)thio]methyl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1CSCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C15H19N3O5S2/c16-14(19)9-25-8-12-5-13(24)6-17(12)15(20)23-7-10-1-3-11(4-2-10)18(21)22/h1-4,12-13,24H,5-9H2,(H2,16,19)