(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-methylsulfonylphenyl)prop-2-enamide

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-methylsulfonylphenyl)prop-2-enamide Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-(3-methylsulfonylphenyl)prop-2-enamide CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-N-(3-methylsulfonylphenyl)-2-propenamide IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-N-(3-methylsulfonylphenyl)prop-2-enamide Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-N-(3-mesylphenyl)acrylamide Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1C=CC(=O)NC3=CC(=CC=C3)S(=O)(=O)C)OC(C2)C

Isomeric SMILES

CCOC1=CC2=C(C=C1/C=C/C(=O)NC3=CC(=CC=C3)S(=O)(=O)C)O[C@H](C2)C

InChI

InChI=1S/C21H23NO5S/c1-4-26-19-12-16-10-14(2)27-20(16)11-15(19)8-9-21(23)22-17-6-5-7-18(13-17)28(3,24)25/h5-9,11-14H,4,10H2,1-3H3,(H,22,23)/b9-8+/t14-/m0/s1