2-[6-methyl-7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[6-methyl-7-(4-methylsulfonylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-methyl-7-(4-methylsulfonylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-methyl-7-[(4-methylsulfonylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-methyl-7-(4-methylsulfonylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-mesylbenzoyl)-6-methyl-coumaran-5-yl]propionic acid Formula: C20H20O6S MolecularWeight: 388.4342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C(=O)O

Isomeric SMILES

CC1=C(C=C2CCOC2=C1C(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(C)C(=O)O

InChI

InChI=1S/C20H20O6S/c1-11-16(12(2)20(22)23)10-14-8-9-26-19(14)17(11)18(21)13-4-6-15(7-5-13)27(3,24)25/h4-7,10,12H,8-9H2,1-3H3,(H,22,23)