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

Systemtic Name: 3-dibenzofuran-3-ylsulfanyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-dibenzofuran-3-ylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(3-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-3-ylsulfanyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(dibenzofuran-3-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=CC5=C(C=C4)C6=CC=CC=C6O5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)SC4=CC5=C(C=C4)C6=CC=CC=C6O5

InChI

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