2-[6-[[2-phenyl-3-(phenylmethyl)-5-phenylsulfanyl-imidazol-4-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid

Systemtic Name: 2-[6-[[2-phenyl-3-(phenylmethyl)-5-phenylsulfanyl-imidazol-4-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]ethanoic acid Openeye Name: 2-[6-[(3-benzyl-2-phenyl-5-phenylsulfanyl-imidazol-4-yl)methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid CAS Name: 2-[6-[[2-phenyl-3-(phenylmethyl)-5-(phenylthio)-4-imidazolyl]methoxy]-2,3-dihydrobenzofuran-3-yl]acetic acid IUPAC Name: 2-[6-[(3-benzyl-2-phenyl-5-phenylsulfanylimidazol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid Traditional Name: 2-[6-[[3-benzyl-2-phenyl-5-(phenylthio)imidazol-4-yl]methoxy]coumaran-3-yl]acetic acid Formula: C33H28N2O4S MolecularWeight: 548.65142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(O1)C=C(C=C2)OCC3=C(N=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C6)CC(=O)O

Isomeric SMILES

C1C(C2=C(O1)C=C(C=C2)OCC3=C(N=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C6)CC(=O)O

InChI

InChI=1S/C33H28N2O4S/c36-31(37)18-25-21-39-30-19-26(16-17-28(25)30)38-22-29-33(40-27-14-8-3-9-15-27)34-32(24-12-6-2-7-13-24)35(29)20-23-10-4-1-5-11-23/h1-17,19,25H,18,20-22H2,(H,36,37)