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

Systemtic Name: 3-dibenzofuran-3-ylsulfanyl-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-dibenzofuran-3-ylsulfanyl-8-oxo-7-[[2-(2-thienyl)acetyl]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-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-dibenzofuran-3-ylsulfanyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(dibenzofuran-3-ylthio)-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C25H18N2O5S3 MolecularWeight: 522.61582

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)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=CS3)C(=O)O)SC4=CC5=C(C=C4)C6=CC=CC=C6O5

InChI

InChI=1S/C25H18N2O5S3/c28-20(11-13-4-3-9-33-13)26-21-23(29)27-22(25(30)31)19(12-34-24(21)27)35-14-7-8-16-15-5-1-2-6-17(15)32-18(16)10-14/h1-10,21,24H,11-12H2,(H,26,28)(H,30,31)