(diphenylmethyl) (7E)-3-cyano-8-oxidanylidene-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) (7E)-3-cyano-8-oxidanylidene-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl (7E)-3-cyano-8-oxo-7-(2-pyridylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: (7E)-3-cyano-8-oxo-7-(2-pyridinylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl (7E)-3-cyano-8-oxo-7-(pyridin-2-ylmethylidene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: (7E)-3-cyano-8-keto-7-(2-pyridylmethylene)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C27H19N3O3S MolecularWeight: 465.52306

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC4N3C(=O)C4=CC5=CC=CC=N5)C#N

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)OC(=O)C3C(=CSC\4N3C(=O)/C4=C\C5=CC=CC=N5)C#N

InChI

InChI=1S/C27H19N3O3S/c28-16-20-17-34-26-22(15-21-13-7-8-14-29-21)25(31)30(26)23(20)27(32)33-24(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-15,17,23-24,26H/b22-15+