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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CC=C3)C(=O)O)SC4=CC=CC5=C4C6=CC=CC=C6O5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CNC3=CC=CC=C3)C(=O)O)SC4=CC=CC5=C4C6=CC=CC=C6O5

InChI

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