3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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![3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/ac913168b2da470aa9fa09a518d3db94.png "3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid")
3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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CAS No:
342046-06-4
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Formula:
C20H15NO3S2
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Chemical Name:
3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid
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Synonyms:
3-[5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzoic acid;AE-641/10659061;ZINC4567264;STK552291;AKOS002183656;ST50076028;3-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzoic acid;3-[5-((2E)-2-methyl-3-phenylprop-2-enylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3 -yl]benzoic acid;3-{(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid;342046-06-4
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CAS No:
3-[(5Z)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzoic acid Basic Attributes
381.5 g/mol
381.04933569 g/mol
Computed Properties
Molecular Weight:381.5
XLogP3:5.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:381.04933569
Monoisotopic Mass:381.04933569
Topological Polar Surface Area:115
Heavy Atom Count:26
Complexity:649
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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