
 MLS-0435416.0001

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M  END

>  <Chemical Name>
MLS-0435416.0001

>  <PubChem CID>
5731274

>  <Formula>
C24H24N2O4S2

>  <Molecular Weight>
468.586000

>  <IUPAC Name>
ethyl 4-[4-[(5Z)-5-[(4-methylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoylamino]benzoate

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)C(=CC3=CC=C(C=C3)C)SC2=S

>  <Isomeric SMILES>
CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCN2C(=O)/C(=C/C3=CC=C(C=C3)C)/SC2=S

>  <InChI Std. ID>
InChI=1S/C24H24N2O4S2/c1-3-30-23(29)18-10-12-19(13-11-18)25-21(27)5-4-14-26-22(28)20(32-24(26)31)15-17-8-6-16(2)7-9-17/h6-13,15H,3-5,14H2,1-2H3,(H,25,27)/b20-15-

>  <InChI Key>
FBYDDSQSTCBIST-HKWRFOASSA-N

