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

Systemtic Name: (diphenylmethyl) 7-(diethoxyphosphorylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-(diethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-(diethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-(diethoxyphosphorylamino)-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-(diethoxyphosphorylamino)-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C25H29N2O6PS MolecularWeight: 516.546321

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC1C2N(C1=O)C(=C(CS2)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)OCC

Isomeric SMILES

CCOP(=O)(NC1C2N(C1=O)C(=C(CS2)C)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)OCC

InChI

InChI=1S/C25H29N2O6PS/c1-4-31-34(30,32-5-2)26-20-23(28)27-21(17(3)16-35-24(20)27)25(29)33-22(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20,22,24H,4-5,16H2,1-3H3,(H,26,30)