3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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![3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/789dba2850374070a111704bc508a34e.png "3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid")
3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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CAS No:
315235-61-1
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Formula:
C18H14N2O4S3
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Chemical Name:
3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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Synonyms:
CHEMBL175822;315235-61-1;(Z)-3-(3-(4-oxo-5-(thiophen-2-ylmethylene)-2-thioxothiazolidin-3-yl)propanamido)benzoic acid;3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid;3-{3-[(5Z)-4-oxo-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-3-yl]propanamido}benzoic acid;Probes1_000456;Probes2_000196;MLS001219930;SCHEMBL4799078;HMS2899M03;KUC110080N;ZINC1798891;BDBM50158727;KSC-213-87-A;MFCD02165523;STL035334;AKOS000628485;SMR000611242;ST056867;F0822-0085;3-({3-[(5Z)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid;3-(3-{4-Oxo-5-[1-thiophen-2-yl-meth-(Z)-ylidene]-2-thioxo-thiazolidin-3-yl}-propionylamino)-benzoic acid;3-[3-(4-Oxo-5-thiophen-2-ylmethylene-2-thioxo-thiazolidin-3-yl)-propionylamino]-benzoic acid;3-[3-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid;3-{3-[4-oxo-5-(2-thienylmethylene)-2-thioxo-1,3-thiazolidin-3-yl]propanoylamin o}benzoic acid;Benzoic acid, 3-[[1-oxo-3-[(5Z)-4-oxo-5-(2-thienylmethylene)-2-thioxo-3-thiazolidinyl]propyl]amino]-
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CAS No:
3-[3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Basic Attributes
418.5 g/mol
418.01157045 g/mol
Computed Properties
Molecular Weight:418.5
XLogP3:3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:418.01157045
Monoisotopic Mass:418.01157045
Topological Polar Surface Area:172
Heavy Atom Count:27
Complexity:667
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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