2-[[3-[2-(diphenylmethyl)sulfanylethyl]-1-benzofuran-6-yl]oxy]ethanoic acid

Systemtic Name: 2-[[3-[2-(diphenylmethyl)sulfanylethyl]-1-benzofuran-6-yl]oxy]ethanoic acid Openeye Name: 2-[3-(2-benzhydrylsulfanylethyl)benzofuran-6-yl]oxyacetic acid CAS Name: 2-[[3-[2-[(diphenylmethyl)thio]ethyl]-6-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-(2-benzhydrylsulfanylethyl)-1-benzofuran-6-yl]oxy]acetic acid Traditional Name: 2-[3-[2-(benzhydrylthio)ethyl]benzofuran-6-yl]oxyacetic acid Formula: C25H22O4S MolecularWeight: 418.50478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC3=COC4=C3C=CC(=C4)OCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCC3=COC4=C3C=CC(=C4)OCC(=O)O

InChI

InChI=1S/C25H22O4S/c26-24(27)17-28-21-11-12-22-20(16-29-23(22)15-21)13-14-30-25(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,15-16,25H,13-14,17H2,(H,26,27)