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

Systemtic Name: (diphenylmethyl) 3-hexyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-hexyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-hexyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-hexyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-hexyl-8-keto-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C34H36N2O5S MolecularWeight: 584.72504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C34H36N2O5S/c1-2-3-4-8-19-26-23-42-33-29(35-28(37)22-40-27-20-13-7-14-21-27)32(38)36(33)30(26)34(39)41-31(24-15-9-5-10-16-24)25-17-11-6-12-18-25/h5-7,9-18,20-21,29,31,33H,2-4,8,19,22-23H2,1H3,(H,35,37)