4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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![4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f56d215a69444701b0f94d36580b3012.png "4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid")
4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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CAS No:
845660-75-5
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Formula:
C19H14N2O4S3
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Chemical Name:
4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
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Synonyms:
MLS000775040;CHEMBL442449;SMR000364586;BDBM50674;cid_2012945;HMS2748M03;ZINC2415873;AKOS001088345;4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid;ST50111417;F1711-0350;(E)-4-(5-((5-(benzo[d]thiazol-2-yl)furan-2-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid;4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furanyl]methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]butanoic acid;4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid;4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid;4-{5-[(5-benzothiazol-2-yl(2-furyl))methylene]-4-oxo-2-thioxo-1,3-thiazolidin- 3-yl}butanoic acid;845660-75-5
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CAS No:
4-[(5E)-5-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid Basic Attributes
430.5 g/mol
430.01157045 g/mol
Computed Properties
Molecular Weight:430.5
XLogP3:4.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:430.01157045
Monoisotopic Mass:430.01157045
Topological Polar Surface Area:169
Heavy Atom Count:28
Complexity:686
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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