2-[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[7-(4-methylsulfanylphenyl)carbonyl-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[7-(4-methylsulfanylbenzoyl)benzofuran-5-yl]acetic acid CAS Name: 2-[7-[[4-(methylthio)phenyl]-oxomethyl]-5-benzofuranyl]acetic acid IUPAC Name: 2-[7-(4-methylsulfanylbenzoyl)-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[7-[4-(methylthio)benzoyl]benzofuran-5-yl]acetic acid Formula: C18H14O4S MolecularWeight: 326.36636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)C2=C3C(=CC(=C2)CC(=O)O)C=CO3

InChI

InChI=1S/C18H14O4S/c1-23-14-4-2-12(3-5-14)17(21)15-9-11(10-16(19)20)8-13-6-7-22-18(13)15/h2-9H,10H2,1H3,(H,19,20)