[3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyloxyboron

Systemtic Name: [3-methylsulfonyloxy-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]carbonyloxyboron Openeye Name: [3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxyboron CAS Name: [[3-methylsulfonyloxy-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-en-2-yl]-oxomethoxy]boron IUPAC Name: [3-methylsulfonyloxy-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxyboron Traditional Name: [8-keto-3-methylsulfonyloxy-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carbonyl]oxyboron Formula: C16H15BN2O7S2 MolecularWeight: 422.2405

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Descriptors Computed from Structure

Canonical SMILES:

[B]OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

[B]OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C16H15BN2O7S2/c1-28(23,24)26-10-8-27-15-12(14(21)19(15)13(10)16(22)25-17)18-11(20)7-9-5-3-2-4-6-9/h2-6,12,15H,7-8H2,1H3,(H,18,20)