2-[[3-[3,3-bis(phenylmethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[3,3-bis(phenylmethylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-[3,3-bis(benzylsulfanyl)propyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[3,3-bis(phenylmethylthio)propyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-[3,3-bis(benzylsulfanyl)propyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[3,3-bis(benzylthio)propyl]benzofuran-7-yl]oxyacetic acid Formula: C27H26O4S2 MolecularWeight: 478.62294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(CCC2=COC3=C2C=CC=C3OCC(=O)O)SCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC(CCC2=COC3=C2C=CC=C3OCC(=O)O)SCC4=CC=CC=C4

InChI

InChI=1S/C27H26O4S2/c28-25(29)17-30-24-13-7-12-23-22(16-31-27(23)24)14-15-26(32-18-20-8-3-1-4-9-20)33-19-21-10-5-2-6-11-21/h1-13,16,26H,14-15,17-19H2,(H,28,29)