
 MLS000714665

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    5.8926   -4.0347   -1.2678 N   0  0  0  0  0
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M  END

>  <Chemical Name>
MLS000714665

>  <PubChem CID>
5758848

>  <Formula>
C17H19NO4S2

>  <Molecular Weight>
365.462000

>  <IUPAC Name>
(5E)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3CCCO3)O

>  <Isomeric SMILES>
CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3CCCO3)O

>  <InChI Std. ID>
InChI=1S/C17H19NO4S2/c1-2-21-14-8-11(5-6-13(14)19)9-15-16(20)18(17(23)24-15)10-12-4-3-7-22-12/h5-6,8-9,12,19H,2-4,7,10H2,1H3/b15-9+

>  <InChI Key>
CBGQEKXIRAJAAT-OQLLNIDSSA-N

