(E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]-1-(4-mesylphenyl)prop-2-en-1-one Formula: C21H22O5S MolecularWeight: 386.46138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5S/c1-4-25-20-13-17-11-14(2)26-21(17)12-16(20)7-10-19(22)15-5-8-18(9-6-15)27(3,23)24/h5-10,12-14H,4,11H2,1-3H3/b10-7+/t14-/m0/s1