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

Systemtic Name: pyridin-3-yl (4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: 3-pyridyl (4E)-3-methyl-4-(p-tolylsulfonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl (4E)-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-(tosylhydrazono)-6,7-dihydro-5H-benzofuran-2-carboxylic acid 3-pyridyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC3=C2C(=C(O3)C(=O)OC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N/N=C/2\CCCC3=C2C(=C(O3)C(=O)OC4=CN=CC=C4)C

InChI

InChI=1S/C22H21N3O5S/c1-14-8-10-17(11-9-14)31(27,28)25-24-18-6-3-7-19-20(18)15(2)21(30-19)22(26)29-16-5-4-12-23-13-16/h4-5,8-13,25H,3,6-7H2,1-2H3/b24-18+