(diphenylmethyl) 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-propanoylperoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-(2-phenoxyethanoylamino)-3-propanoylperoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 8-oxo-7-[(2-phenoxyacetyl)amino]-3-propanoylperoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-3-[oxo(1-oxopropyldioxy)methyl]-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-7-[(2-phenoxyacetyl)amino]-3-propanoylperoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-7-[(2-phenoxyacetyl)amino]-3-propionylperoxycarbonyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C32H28N2O9S MolecularWeight: 616.63772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OOC(=O)C1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)OOC(=O)C1=C(N2C(C(C2=O)NC(=O)COC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H28N2O9S/c1-2-25(36)42-43-31(38)23-19-44-30-26(33-24(35)18-40-22-16-10-5-11-17-22)29(37)34(30)27(23)32(39)41-28(20-12-6-3-7-13-20)21-14-8-4-9-15-21/h3-17,26,28,30H,2,18-19H2,1H3,(H,33,35)