
 MLS000777053

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M  END

>  <Chemical Name>
MLS000777053

>  <PubChem CID>
1976940

>  <Formula>
C21H12N2O4S

>  <Molecular Weight>
388.397000

>  <IUPAC Name>
3-[5-[(E)-(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]furan-2-yl]benzoic acid

>  <XlogP>
4.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)S3

>  <Isomeric SMILES>
C1=CC=C2C(=C1)N=C3N2C(=O)/C(=C\C4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)/S3

>  <InChI Std. ID>
InChI=1S/C21H12N2O4S/c24-19-18(28-21-22-15-6-1-2-7-16(15)23(19)21)11-14-8-9-17(27-14)12-4-3-5-13(10-12)20(25)26/h1-11H,(H,25,26)/b18-11+

>  <InChI Key>
IHXPBZYKWITPFM-WOJGMQOQSA-N

