2-[(7Z)-7-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-2,3-dihydro-1-benzofuran-5-yl]propanoic acid

Systemtic Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Openeye Name: 2-[(7Z)-6-oxo-7-[p-tolyl(sulfanyl)methylene]-2,3-dihydrobenzofuran-5-yl]propanoic acid CAS Name: 2-[(7Z)-7-[mercapto-(4-methylphenyl)methylidene]-6-oxo-2,3-dihydrobenzofuran-5-yl]propanoic acid IUPAC Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanylmethylidene]-6-oxo-2,3-dihydro-1-benzofuran-5-yl]propanoic acid Traditional Name: 2-[(7Z)-6-keto-7-[mercapto(p-tolyl)methylene]-2,3-dihydrobenzofuran-5-yl]propionic acid Formula: C19H18O4S MolecularWeight: 342.40882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=C2C3=C(CCO3)C=C(C2=O)C(C)C(=O)O)S

Isomeric SMILES

CC1=CC=C(C=C1)/C(=C/2\C3=C(CCO3)C=C(C2=O)C(C)C(=O)O)/S

InChI

InChI=1S/C19H18O4S/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/h3-6,9,11,24H,7-8H2,1-2H3,(H,21,22)/b18-15+