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

Systemtic Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanyl-methylidene]-6-oxidanylidene-2,3-dihydro-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[(7Z)-6-oxo-7-[p-tolyl(sulfanyl)methylene]-2,3-dihydrobenzofuran-5-yl]acetic acid CAS Name: 2-[(7Z)-7-[mercapto-(4-methylphenyl)methylidene]-6-oxo-2,3-dihydrobenzofuran-5-yl]acetic acid IUPAC Name: 2-[(7Z)-7-[(4-methylphenyl)-sulfanylmethylidene]-6-oxo-2,3-dihydro-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[(7Z)-6-keto-7-[mercapto(p-tolyl)methylene]-2,3-dihydrobenzofuran-5-yl]acetic acid Formula: C18H16O4S MolecularWeight: 328.38224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O4S/c1-10-2-4-11(5-3-10)18(23)15-16(21)13(9-14(19)20)8-12-6-7-22-17(12)15/h2-5,8,23H,6-7,9H2,1H3,(H,19,20)/b18-15+