(4-nitrophenyl)methyl 3-ethanoylsulfanyl-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethanoylsulfanyl-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetylsulfanyl-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetylthio)-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 3-acetylsulfanyl-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetylthio)-8-keto-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C15H12N2O6S3 MolecularWeight: 412.46058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1=C(N2C(CC2=O)SS1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)SC1=C(N2C(CC2=O)SS1)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N2O6S3/c1-8(18)24-15-13(16-11(19)6-12(16)25-26-15)14(20)23-7-9-2-4-10(5-3-9)17(21)22/h2-5,12H,6-7H2,1H3