2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[7-(4-methylphenyl)carbothioyl-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[7-(4-methylbenzenecarbothioyl)benzofuran-5-yl]propanoic acid CAS Name: 2-[7-[(4-methylphenyl)-sulfanylidenemethyl]-5-benzofuranyl]propanoic acid IUPAC Name: 2-[7-(4-methylbenzenecarbothioyl)-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[7-(4-methylthiobenzoyl)benzofuran-5-yl]propionic acid Formula: C19H16O3S MolecularWeight: 324.39354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)C(C)C(=O)O)C=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=C3C(=CC(=C2)C(C)C(=O)O)C=CO3

InChI

InChI=1S/C19H16O3S/c1-11-3-5-13(6-4-11)18(23)16-10-15(12(2)19(20)21)9-14-7-8-22-17(14)16/h3-10,12H,1-2H3,(H,20,21)