2-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)-2-ethylsulfanyl-ethoxy]methyl]-2-(2-methylphenyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[[4-[[1-(2,3-dihydrobenzofuran-6-yl)-2-ethylsulfanyl-ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[[4-[[1-(2,3-dihydrobenzofuran-6-yl)-2-(ethylthio)ethoxy]methyl]-2-(2-methylphenyl)phenyl]-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[[4-[[1-(2,3-dihydro-1-benzofuran-6-yl)-2-ethylsulfanylethoxy]methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[[4-[[1-coumaran-6-yl-2-(ethylthio)ethoxy]methyl]-2-(o-tolyl)benzoyl]amino]-4-mesyl-butyric acid Formula: C32H37NO7S2 MolecularWeight: 611.76868

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C1=CC2=C(CCO2)C=C1)OCC3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4C

Isomeric SMILES

CCSCC(C1=CC2=C(CCO2)C=C1)OCC3=CC(=C(C=C3)C(=O)NC(CCS(=O)(=O)C)C(=O)O)C4=CC=CC=C4C

InChI

InChI=1S/C32H37NO7S2/c1-4-41-20-30(24-11-10-23-13-15-39-29(23)18-24)40-19-22-9-12-26(27(17-22)25-8-6-5-7-21(25)2)31(34)33-28(32(35)36)14-16-42(3,37)38/h5-12,17-18,28,30H,4,13-16,19-20H2,1-3H3,(H,33,34)(H,35,36)