2-[6-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[[3-(benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[[3-(1-benzothiophen-3-yl)phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[3-(benzothiophen-3-yl)benzyl]oxycoumaran-3-yl]acetic acid Formula: C25H20O4S MolecularWeight: 416.4889

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC(=C3)C4=CSC5=CC=CC=C54)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=CC=CC(=C3)C4=CSC5=CC=CC=C54)CC(=O)O

InChI

InChI=1S/C25H20O4S/c26-25(27)11-18-14-29-23-12-19(8-9-20(18)23)28-13-16-4-3-5-17(10-16)22-15-30-24-7-2-1-6-21(22)24/h1-10,12,15,18H,11,13-14H2,(H,26,27)