(4-nitrophenyl)methyl 3-ethanoylsulfanyl-7-ethyl-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 3-ethanoylsulfanyl-7-ethyl-8-oxidanylidene-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 3-acetylsulfanyl-7-ethyl-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetylthio)-7-ethyl-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-7-ethyl-8-oxo-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetylthio)-7-ethyl-8-keto-4,5-dithia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C17H16N2O6S3 MolecularWeight: 440.51374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2N(C1=O)C(=C(SS2)SC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1C2N(C1=O)C(=C(SS2)SC(=O)C)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S3/c1-3-12-14(21)18-13(17(26-9(2)20)28-27-15(12)18)16(22)25-8-10-4-6-11(7-5-10)19(23)24/h4-7,12,15H,3,8H2,1-2H3