
 CHEMBL3779936

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3779936

>  <PubChem CID>
127029853

>  <Formula>
C24H25NO7S

>  <Molecular Weight>
471.524000

>  <IUPAC Name>
2-[6-[[4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-5-yl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)COC3=CC4=C(C=C3)C(CO4)CC(=O)O

>  <Isomeric SMILES>
CC1=C(SC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)COC3=CC4=C(C=C3)C(CO4)CC(=O)O

>  <InChI Std. ID>
InChI=1S/C24H25NO7S/c1-13-21(12-31-16-5-6-17-15(9-22(26)27)11-32-18(17)10-16)33-24(25-13)14-7-19(28-2)23(30-4)20(8-14)29-3/h5-8,10,15H,9,11-12H2,1-4H3,(H,26,27)

>  <InChI Key>
BISMXNPTMQIXOD-UHFFFAOYSA-N

