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

Systemtic Name: (4E)-3-methyl-4-(phenylsulfonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-4-(benzenesulfonylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid CAS Name: (4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid IUPAC Name: (4E)-4-(benzenesulfonylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-4-(besylhydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid Formula: C16H16N2O5S MolecularWeight: 348.37364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5S/c1-10-14-12(8-5-9-13(14)23-15(10)16(19)20)17-18-24(21,22)11-6-3-2-4-7-11/h2-4,6-7,18H,5,8-9H2,1H3,(H,19,20)/b17-12+