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

Systemtic Name: 2-[6-methyl-7-(4-methylphenyl)carbothioyl-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[6-methyl-7-(4-methylbenzenecarbothioyl)-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[6-methyl-7-[(4-methylphenyl)-sulfanylidenemethyl]-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[6-methyl-7-(4-methylbenzenecarbothioyl)-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[6-methyl-7-(4-methylthiobenzoyl)coumaran-5-yl]propionic acid Formula: C20H20O3S MolecularWeight: 340.436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20O3S/c1-11-4-6-14(7-5-11)19(24)17-12(2)16(13(3)20(21)22)10-15-8-9-23-18(15)17/h4-7,10,13H,8-9H2,1-3H3,(H,21,22)