tert-butyl (5Z)-5-[[3,4-bis-(4-methylphenyl)sulfonyloxyphenyl]methylidene]-6-oxidanylidene-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate

Systemtic Name: tert-butyl (5Z)-5-[[3,4-bis-(4-methylphenyl)sulfonyloxyphenyl]methylidene]-6-oxidanylidene-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate Openeye Name: tert-butyl (5Z)-5-[[3,4-bis(p-tolylsulfonyloxy)phenyl]methylene]-2-isopropyl-6-oxo-3-phenyl-2H-pyrazine-1-carboxylate CAS Name: (5Z)-5-[[3,4-bis-(4-methylphenyl)sulfonyloxyphenyl]methylidene]-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (5Z)-5-[[3,4-bis-(4-methylphenyl)sulfonyloxyphenyl]methylidene]-6-oxo-3-phenyl-2-propan-2-yl-2H-pyrazine-1-carboxylate Traditional Name: (5Z)-5-(3,4-ditosyloxybenzylidene)-2-isopropyl-6-keto-3-phenyl-2H-pyrazine-1-carboxylic acid tert-butyl ester Formula: C39H40N2O9S2 MolecularWeight: 744.8729

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C3C(=O)N(C(C(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC(C)(C)C)OS(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C\3/C(=O)N(C(C(=N3)C4=CC=CC=C4)C(C)C)C(=O)OC(C)(C)C)OS(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C39H40N2O9S2/c1-25(2)36-35(29-11-9-8-10-12-29)40-32(37(42)41(36)38(43)48-39(5,6)7)23-28-17-22-33(49-51(44,45)30-18-13-26(3)14-19-30)34(24-28)50-52(46,47)31-20-15-27(4)16-21-31/h8-25,36H,1-7H3/b32-23-