(5-methyl-2-propan-2-yl-phenyl) (4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) (4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-isopropyl-5-methyl-phenyl) (4E)-4-[(4-fluorophenyl)sulfonylhydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) (4E)-4-[(4-fluorophenyl)sulfonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(4-fluorophenyl)sulfonylhydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C26H27FN2O5S MolecularWeight: 498.566383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C3=C(O2)CCCC3=NNS(=O)(=O)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C2=C(C\3=C(O2)CCC/C3=N\NS(=O)(=O)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C26H27FN2O5S/c1-15(2)20-13-8-16(3)14-23(20)34-26(30)25-17(4)24-21(6-5-7-22(24)33-25)28-29-35(31,32)19-11-9-18(27)10-12-19/h8-15,29H,5-7H2,1-4H3/b28-21+