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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(azidomethyl)-1,3-thiazol-2-yl]-4-ethanoylsulfanyl-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(azidomethyl)thiazol-2-yl]pyrrolidine-1-carboxylate CAS Name: 4-(acetylthio)-2-[4-(azidomethyl)-2-thiazolyl]-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-acetylsulfanyl-2-[4-(azidomethyl)-1,3-thiazol-2-yl]pyrrolidine-1-carboxylate Traditional Name: 4-(acetylthio)-2-[4-(azidomethyl)thiazol-2-yl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N6O5S2 MolecularWeight: 462.50272

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)CN=[N+]=[N-]

Isomeric SMILES

CC(=O)SC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)CN=[N+]=[N-]

InChI

InChI=1S/C18H18N6O5S2/c1-11(25)31-15-6-16(17-21-13(10-30-17)7-20-22-19)23(8-15)18(26)29-9-12-2-4-14(5-3-12)24(27)28/h2-5,10,15-16H,6-9H2,1H3