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

Systemtic Name: 2-[6-methyl-7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[6-methyl-7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[6-methyl-7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[6-methyl-7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[6-methyl-7-(4-methylthiobenzoyl)coumaran-5-yl]acetic acid Formula: C19H18O3S MolecularWeight: 326.40942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2C)CC(=O)O)CCO3

InChI

InChI=1S/C19H18O3S/c1-11-3-5-13(6-4-11)19(23)17-12(2)15(10-16(20)21)9-14-7-8-22-18(14)17/h3-6,9H,7-8,10H2,1-2H3,(H,20,21)