
 4-(benzofuran-2-carbonyl)-3-hydroxy-5-phenyl-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one

 43 47  0  0  0  0  0  0  0  0999 V2000
   -1.4941   -0.5494   -1.5880 C   0  0  0  0  0
   -0.6594    0.0326   -2.5382 C   0  0  0  0  0
    0.6708    0.3160   -2.2228 C   0  0  0  0  0
    1.1822    0.0344   -0.9431 C   0  0  0  0  0
    0.3280   -0.5635   -0.0010 C   0  0  0  0  0
   -0.9999   -0.8518   -0.3218 C   0  0  0  0  0
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    3.5852   -0.7016   -1.0698 C   0  0  0  0  0
    4.4641   -0.1822   -1.9316 C   0  0  0  0  0
    4.1671    1.2612   -2.0648 C   0  0  0  0  0
    4.8369    1.9527   -2.8129 O   0  0  0  0  0
    3.1383    1.5462   -1.1829 N   0  0  0  0  0
    2.7746    2.8604   -0.9659 C   0  0  0  0  0
    3.1937    3.9060   -1.6392 N   0  0  0  0  0
    2.6375    5.0592   -1.1282 C   0  0  0  0  0
    1.8099    4.8837   -0.0426 C   0  0  0  0  0
    1.6957    3.2142    0.3232 S   0  0  0  0  0
    5.5520   -0.7452   -2.5257 O   0  0  0  0  0
    3.5345   -2.0644   -0.4892 C   0  0  0  0  0
    3.0940   -2.1620    0.6592 O   0  0  0  0  0
    3.9772   -3.2254   -1.2351 C   0  0  0  0  0
    4.1000   -4.5479   -0.8403 C   0  0  0  0  0
    4.6200   -5.2682   -1.9476 C   0  0  0  0  0
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    4.7629   -4.3346   -2.9644 C   0  0  0  0  0
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    1.2952    0.7720   -2.9890 H   0  0  0  0  0
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    2.7321    0.4486    0.5259 H   0  0  0  0  0
    2.8791    6.0100   -1.5876 H   0  0  0  0  0
    1.2806    5.6319    0.5290 H   0  0  0  0  0
    5.9424   -0.0361   -3.0796 H   0  0  0  0  0
    3.8648   -4.9325    0.1428 H   0  0  0  0  0
    4.8944   -7.3641   -1.4389 H   0  0  0  0  0
    5.8250   -7.9429   -3.6717 H   0  0  0  0  0
    6.0908   -6.2151   -5.4185 H   0  0  0  0  0
    5.3918   -3.8465   -4.9756 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
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M  END

>  <Chemical Name>
4-(benzofuran-2-carbonyl)-3-hydroxy-5-phenyl-1-(thiazol-2-yl)-1H-pyrrol-2(5H)-one

>  <PubChem CID>
3830309

>  <Formula>
C22H14N2O4S

>  <Molecular Weight>
402.424000

>  <IUPAC Name>
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-phenyl-1-(1,3-thiazol-2-yl)-2H-pyrrol-5-one

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=CS3)O)C(=O)C4=CC5=CC=CC=C5O4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=NC=CS3)O)C(=O)C4=CC5=CC=CC=C5O4

>  <InChI Std. ID>
InChI=1S/C22H14N2O4S/c25-19(16-12-14-8-4-5-9-15(14)28-16)17-18(13-6-2-1-3-7-13)24(21(27)20(17)26)22-23-10-11-29-22/h1-12,18,26H

>  <InChI Key>
IHVLIVWYCNWQOM-UHFFFAOYSA-N

