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

Systemtic Name: 2-[6-methyl-7-(4-methylsulfinylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-methyl-7-[(4-methylsulfinylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)coumaran-5-yl]propionic acid Formula: C20H20O5S MolecularWeight: 372.4348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O5S/c1-11-16(12(2)20(22)23)10-14-8-9-25-19(14)17(11)18(21)13-4-6-15(7-5-13)26(3)24/h4-7,10,12H,8-9H2,1-3H3,(H,22,23)