phenyl (4E)-3-methyl-4-(phenylsulfonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: phenyl (4E)-3-methyl-4-(phenylsulfonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: phenyl (4E)-4-(benzenesulfonylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester IUPAC Name: phenyl (4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-(besylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid phenyl ester Formula: C22H20N2O5S MolecularWeight: 424.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNS(=O)(=O)C3=CC=CC=C3)CCC2)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NS(=O)(=O)C3=CC=CC=C3)/CCC2)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C22H20N2O5S/c1-15-20-18(23-24-30(26,27)17-11-6-3-7-12-17)13-8-14-19(20)29-21(15)22(25)28-16-9-4-2-5-10-16/h2-7,9-12,24H,8,13-14H2,1H3/b23-18+