(4-nitrophenyl)methyl 2-(2-azanylethylsulfanylmethyl)-4-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-(2-azanylethylsulfanylmethyl)-4-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-(2-aminoethylsulfanylmethyl)-4-hydroxy-pyrrolidine-1-carboxylate CAS Name: 2-[(2-aminoethylthio)methyl]-4-hydroxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(2-aminoethylsulfanylmethyl)-4-hydroxypyrrolidine-1-carboxylate Traditional Name: 2-[(2-aminoethylthio)methyl]-4-hydroxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C15H21N3O5S MolecularWeight: 355.40934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CSCCN)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1C(CN(C1CSCCN)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H21N3O5S/c16-5-6-24-10-13-7-14(19)8-17(13)15(20)23-9-11-1-3-12(4-2-11)18(21)22/h1-4,13-14,19H,5-10,16H2