2-[[3-[2-(3,3-diphenylpropylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[2-(3,3-diphenylpropylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-[2-(3,3-diphenylpropylsulfanyl)ethyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[2-(3,3-diphenylpropylthio)ethyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-[2-(3,3-diphenylpropylsulfanyl)ethyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[2-(3,3-diphenylpropylthio)ethyl]benzofuran-7-yl]oxyacetic acid Formula: C27H26O4S MolecularWeight: 446.55794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCSCCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CCSCCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C27H26O4S/c28-26(29)19-30-25-13-7-12-24-22(18-31-27(24)25)14-16-32-17-15-23(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-13,18,23H,14-17,19H2,(H,28,29)