4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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![4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/9f11edc5674843a3856684ea57b1b2cd.png "4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid")
4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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CAS No:
333420-24-9
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Formula:
C22H20N2O5S2
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Chemical Name:
4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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Synonyms:
MLS001201637;333420-24-9;SMR000806146;(E)-4-(3-(5-(4-ethoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)propanamido)benzoic acid;4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid;4-{3-[(5E)-5-[(4-ETHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDO}BENZOIC ACID;CHEMBL1471715;SCHEMBL12008595;BDBM61259;cid_1580466;HMS2975C07;ZINC1792649;AKOS002213899;ST50150491;F0881-0181;4-(3-{5-[(4-ethoxyphenyl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propan oylamino)benzoic acid;4-[[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-3-thiazolidinyl]-1-oxopropyl]amino]benzoic acid;4-[3-[(5E)-5-(4-ethoxybenzylidene)-4-keto-2-thioxo-thiazolidin-3-yl]propanoylamino]benzoic acid;4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxidanylidene-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid
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CAS No:
4-[3-[(5E)-5-[(4-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoylamino]benzoic acid Basic Attributes
456.5 g/mol
456.08136409 g/mol
Computed Properties
Molecular Weight:456.5
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:456.08136409
Monoisotopic Mass:456.08136409
Topological Polar Surface Area:153
Heavy Atom Count:31
Complexity:725
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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