[1-(triphenylmethyl)pyrazol-4-yl]methylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [1-(triphenylmethyl)pyrazol-4-yl]methylsulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (1-tritylpyrazol-4-yl)methylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[1-(triphenylmethyl)-4-pyrazolyl]methylthio] ester IUPAC Name: (1-tritylpyrazol-4-yl)methylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-tritylpyrazol-4-yl)methylthio] ester Formula: C30H25N3O3S2 MolecularWeight: 539.6678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C=C(N2C(S1)CC2=O)C(=O)OSCC3=CN(N=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H25N3O3S2/c34-27-18-28-33(27)26(16-17-37-28)29(35)36-38-21-22-19-31-32(20-22)30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-16,19-20,28H,17-18,21H2