(2-phenylethanoylamino) 3-dibenzofuran-4-ylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-phenylethanoylamino) 3-dibenzofuran-4-ylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(2-phenylacetyl)amino] 3-dibenzofuran-4-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(4-dibenzofuranylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] 3-dibenzofuran-4-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(dibenzofuran-4-ylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C27H20N2O5S2 MolecularWeight: 516.5881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(CS2)SC3=CC=CC4=C3OC5=CC=CC=C45)C(=O)ONC(=O)CC6=CC=CC=C6

Isomeric SMILES

C1C2N(C1=O)C(=C(CS2)SC3=CC=CC4=C3OC5=CC=CC=C45)C(=O)ONC(=O)CC6=CC=CC=C6

InChI

InChI=1S/C27H20N2O5S2/c30-22(13-16-7-2-1-3-8-16)28-34-27(32)25-21(15-35-24-14-23(31)29(24)25)36-20-12-6-10-18-17-9-4-5-11-19(17)33-26(18)20/h1-12,24H,13-15H2,(H,28,30)