3-dibenzofuran-4-ylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-dibenzofuran-4-ylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-dibenzofuran-4-ylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(4-dibenzofuranylthio)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-dibenzofuran-4-ylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(dibenzofuran-4-ylthio)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H20N2O5S2 MolecularWeight: 516.5881

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC=CC5=C4OC6=CC=CC=C56

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC=CC5=C4OC6=CC=CC=C56

InChI

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