[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Systemtic Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Openeye Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl (E)-3-(4-morpholinosulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-2-propenoic acid [(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl ester IUPAC Name: [(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)acrylic acid [(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H29NO7S/c1-3-31-23-15-20-14-18(2)33-24(20)16-21(23)17-32-25(27)9-6-19-4-7-22(8-5-19)34(28,29)26-10-12-30-13-11-26/h4-9,15-16,18H,3,10-14,17H2,1-2H3/b9-6+/t18-/m0/s1