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

Systemtic Name: (4-nitrophenyl)methyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-amino-2-oxo-ethyl)sulfanyl-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-amino-2-oxoethyl)sulfanyl-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H17N3O5S2 MolecularWeight: 371.43188

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1SCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1SCC(=O)N)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])S

InChI

InChI=1S/C14H17N3O5S2/c15-12(18)8-24-13-5-11(23)6-16(13)14(19)22-7-9-1-3-10(4-2-9)17(20)21/h1-4,11,13,23H,5-8H2,(H2,15,18)