3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(5-ethoxy-2-methyl-coumaran-6-yl)-2-tosyl-acrylonitrile Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1C=C(C#N)S(=O)(=O)C3=CC=C(C=C3)C)OC(C2)C

InChI

InChI=1S/C21H21NO4S/c1-4-25-20-11-16-9-15(3)26-21(16)12-17(20)10-19(13-22)27(23,24)18-7-5-14(2)6-8-18/h5-8,10-12,15H,4,9H2,1-3H3