
 MLS000586692

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M  END

>  <Chemical Name>
MLS000586692

>  <PubChem CID>
1258954

>  <Formula>
C19H16N2O6S

>  <Molecular Weight>
400.405000

>  <IUPAC Name>
(5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
COC1=CC(=CC(=C1O)OC)C=C2C(=O)N(C(=N)S2)C3=CC4=C(C=C3)OCO4

>  <Isomeric SMILES>
COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)N(C(=N)S2)C3=CC4=C(C=C3)OCO4

>  <InChI Std. ID>
InChI=1S/C19H16N2O6S/c1-24-14-5-10(6-15(25-2)17(14)22)7-16-18(23)21(19(20)28-16)11-3-4-12-13(8-11)27-9-26-12/h3-8,20,22H,9H2,1-2H3/b16-7-,20-19?

>  <InChI Key>
HIWBRHNPKYABSM-CQRAXGMXSA-N

