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

Systemtic Name: 4-[2-(4-bromophenyl)ethanoylamino]-3-dibenzofuran-3-ylsulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-[[2-(4-bromophenyl)acetyl]amino]-3-dibenzofuran-3-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[[2-(4-bromophenyl)-1-oxoethyl]amino]-3-(3-dibenzofuranylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-[[2-(4-bromophenyl)acetyl]amino]-3-dibenzofuran-3-ylsulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[[2-(4-bromophenyl)acetyl]amino]-3-(dibenzofuran-3-ylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C27H19BrN2O5S2 MolecularWeight: 595.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=C(C=C3)Br)SC4=CC5=C(C=C4)C6=CC=CC=C6O5)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=C(C=C3)Br)SC4=CC5=C(C=C4)C6=CC=CC=C6O5)C(=O)O

InChI

InChI=1S/C27H19BrN2O5S2/c28-15-7-5-14(6-8-15)11-21(31)29-26-25(24(27(33)34)30-22(32)13-23(30)37-26)36-16-9-10-18-17-3-1-2-4-19(17)35-20(18)12-16/h1-10,12,23,26H,11,13H2,(H,29,31)(H,33,34)