3-dibenzofuran-3-ylsulfanyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-dibenzofuran-3-ylsulfanyl-8-oxidanylidene-7-(2-phenylazanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-anilinoacetyl)amino]-3-dibenzofuran-3-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-anilino-1-oxoethyl)amino]-3-(3-dibenzofuranylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-anilinoacetyl)amino]-3-dibenzofuran-3-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(2-anilinoacetyl)amino]-3-(dibenzofuran-3-ylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H21N3O5S2 MolecularWeight: 531.60274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CC=C3)C(=O)O)SC4=CC5=C(C=C4)C6=CC=CC=C6O5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CC=C3)C(=O)O)SC4=CC5=C(C=C4)C6=CC=CC=C6O5

InChI

InChI=1S/C27H21N3O5S2/c31-22(13-28-15-6-2-1-3-7-15)29-23-25(32)30-24(27(33)34)21(14-36-26(23)30)37-16-10-11-18-17-8-4-5-9-19(17)35-20(18)12-16/h1-12,23,26,28H,13-14H2,(H,29,31)(H,33,34)