2-[(7Z)-7-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[(7Z)-6-oxo-7-[p-tolyl(sulfanyl)methylene]benzofuran-5-yl]propanoic acid CAS Name: 2-[(7Z)-7-[mercapto-(4-methylphenyl)methylidene]-6-oxo-5-benzofuranyl]propanoic acid IUPAC Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanylmethylidene]-6-oxo-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[(7Z)-6-keto-7-[mercapto(p-tolyl)methylene]benzofuran-5-yl]propionic acid Formula: C19H16O4S MolecularWeight: 340.39294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C3=C(C=CO3)C=C(C2=O)C(C)C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/2\C3=C(C=CO3)C=C(C2=O)C(C)C(=O)O)/S

InChI

InChI=1S/C19H16O4S/c1-10-3-5-12(6-4-10)18(24)15-16(20)14(11(2)19(21)22)9-13-7-8-23-17(13)15/h3-9,11,24H,1-2H3,(H,21,22)/b18-15+