(4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-thiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-thiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)thiazol-2-yl]-4-sulfanyl-pyrrolidine-1-carboxylate CAS Name: 2-[4-(azidomethyl)-2-thiazolyl]-4-mercapto-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-thiazol-2-yl]-4-sulfanylpyrrolidine-1-carboxylate Traditional Name: 2-[4-(azidomethyl)thiazol-2-yl]-4-mercapto-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H16N6O4S2 MolecularWeight: 420.46604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C2=NC(=CS2)CN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

Isomeric SMILES

C1C(CN(C1C2=NC(=CS2)CN=[N+]=[N-])C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])S

InChI

InChI=1S/C16H16N6O4S2/c17-20-18-6-11-9-28-15(19-11)14-5-13(27)7-21(14)16(23)26-8-10-1-3-12(4-2-10)22(24)25/h1-4,9,13-14,27H,5-8H2