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

Systemtic Name: 2-[6-methyl-7-(4-methylsulfinylphenyl)carbonyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-methyl-7-[(4-methylsulfinylphenyl)-oxomethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-methyl-7-(4-methylsulfinylbenzoyl)coumaran-5-yl]acetic acid Formula: C19H18O5S MolecularWeight: 358.40822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18O5S/c1-11-14(10-16(20)21)9-13-7-8-24-19(13)17(11)18(22)12-3-5-15(6-4-12)25(2)23/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)