(diphenylmethyl) 7-azanyl-8-oxidanylidene-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-8-oxo-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-(3-phenylprop-2-ynoxy)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C29H24N2O4S MolecularWeight: 496.57686

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)OCC#CC5=CC=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)OCC#CC5=CC=CC=C5

InChI

InChI=1S/C29H24N2O4S/c30-24-27(32)31-25(23(19-36-28(24)31)34-18-10-13-20-11-4-1-5-12-20)29(33)35-26(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-9,11-12,14-17,24,26,28H,18-19,30H2