2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
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![2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/f9453e6e0e734e29b7dbb6551b1af4e2.png "2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid")
2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
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CAS No:
637317-91-0
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Formula:
C17H12N2O5S3
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Chemical Name:
2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
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Synonyms:
637317-91-0;(E)-2-hydroxy-5-(2-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)acetamido)benzoic acid;2-hydroxy-5-{2-[(5E)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]acetamido}benzoic acid;ZINC1839984;AKOS002180758;2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid;ST50069591;SR-01000010164;SR-01000010164-1;F1063-1825;2-hydroxy-5-{2-[4-oxo-5-(2-thienylmethylene)-2-thioxo(1,3-thiazolidin-3-yl)]ac etylamino}benzoic acid
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CAS No:
2-hydroxy-5-[[2-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid Basic Attributes
420.5 g/mol
419.99083501 g/mol
Computed Properties
Molecular Weight:420.5
XLogP3:3.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:419.99083501
Monoisotopic Mass:419.99083501
Topological Polar Surface Area:193
Heavy Atom Count:27
Complexity:684
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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