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

Systemtic Name: 2-[[3-(2,2-diphenylethylsulfanylmethyl)-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[3-(2,2-diphenylethylsulfanylmethyl)benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[3-[(2,2-diphenylethylthio)methyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[3-(2,2-diphenylethylsulfanylmethyl)-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[(2,2-diphenylethylthio)methyl]benzofuran-7-yl]oxyacetic acid Formula: C25H22O4S MolecularWeight: 418.50478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CSCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(CSCC2=COC3=C2C=CC=C3OCC(=O)O)C4=CC=CC=C4

InChI

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