2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanoic acid

Systemtic Name: 2-[2-(3-methoxy-4-oxidanyl-phenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanoic acid Openeye Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-methylsulfanyl-benzofuran-5-yl]acetic acid CAS Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methylthio)-5-benzofuranyl]acetic acid IUPAC Name: 2-[2-(4-hydroxy-3-methoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]acetic acid Traditional Name: 2-[2-(4-hydroxy-3-methoxy-phenyl)-3-(methylthio)benzofuran-5-yl]acetic acid Formula: C18H16O5S MolecularWeight: 344.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)O)SC)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2=C(C3=C(O2)C=CC(=C3)CC(=O)O)SC)O

InChI

InChI=1S/C18H16O5S/c1-22-15-9-11(4-5-13(15)19)17-18(24-2)12-7-10(8-16(20)21)3-6-14(12)23-17/h3-7,9,19H,8H2,1-2H3,(H,20,21)