(diphenylmethyl) 3-methyl-2-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-methyl-2-oxidanyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: benzhydryl 2-hydroxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: 2-hydroxy-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-hydroxy-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: 2-hydroxy-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid benzhydryl ester Formula: C29H28N2O6S MolecularWeight: 532.60742

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(N2C(CS1)C(C2=O)NC(=O)COC3=CC=CC=C3)(C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O

Isomeric SMILES

CC1C(N2C(CS1)C(C2=O)NC(=O)COC3=CC=CC=C3)(C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)O

InChI

InChI=1S/C29H28N2O6S/c1-19-29(35,28(34)37-26(20-11-5-2-6-12-20)21-13-7-3-8-14-21)31-23(18-38-19)25(27(31)33)30-24(32)17-36-22-15-9-4-10-16-22/h2-16,19,23,25-26,35H,17-18H2,1H3,(H,30,32)