2-[[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethoxy-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethoxy-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[4-[[1-(2,3-dihydrobenzofuran-5-yl)-2-ethoxy-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[4-[[1-(2,3-dihydrobenzofuran-5-yl)-2-ethoxyethoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[4-[[1-(2,3-dihydro-1-benzofuran-5-yl)-2-ethoxyethoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[4-[(1-coumaran-5-yl-2-ethoxy-ethoxy)methyl]-2-(o-tolyl)benzoyl]amino]-4-(methylthio)butyric acid Formula: C32H37NO6S MolecularWeight: 563.70428

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC(C1=CC2=C(C=C1)OCC2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCOCC(C1=CC2=C(C=C1)OCC2)OCC3=CC(=C(C=C3)C(=O)NC(CCSC)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C32H37NO6S/c1-4-37-20-30(23-10-12-29-24(18-23)13-15-38-29)39-19-22-9-11-26(27(17-22)25-8-6-5-7-21(25)2)31(34)33-28(32(35)36)14-16-40-3/h5-12,17-18,28,30H,4,13-16,19-20H2,1-3H3,(H,33,34)(H,35,36)