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

Systemtic Name: 2-[[3-[2-(phenylmethylsulfanyl)ethyl]-2,3-dihydro-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[[3-(2-benzylsulfanylethyl)-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid CAS Name: 2-[[3-[2-(phenylmethylthio)ethyl]-2,3-dihydrobenzofuran-7-yl]oxy]acetic acid IUPAC Name: 2-[[3-(2-benzylsulfanylethyl)-2,3-dihydro-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[3-[2-(benzylthio)ethyl]coumaran-7-yl]oxyacetic acid Formula: C19H20O4S MolecularWeight: 344.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCSCC3=CC=CC=C3

Isomeric SMILES

C1C(C2=C(O1)C(=CC=C2)OCC(=O)O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C19H20O4S/c20-18(21)12-22-17-8-4-7-16-15(11-23-19(16)17)9-10-24-13-14-5-2-1-3-6-14/h1-8,15H,9-13H2,(H,20,21)