2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
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![2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/835269d3b2a4434aa5ac8b20ceb667ad.png "2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate")
2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
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CAS No:
577982-50-4
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Formula:
C26H25N3O6S2
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Chemical Name:
2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate
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Synonyms:
2-tert-butyl 4-ethyl 5-({(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl}amino)-3-methylthiophene-2,4-dicarboxylate;ZINC2335901;STK803933;AKOS005636057;577982-50-4
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CAS No:
2-O-tert-butyl 4-O-ethyl 5-[[(Z)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]amino]-3-methylthiophene-2,4-dicarboxylate Basic Attributes
539.6 g/mol
539.11847787 g/mol
Computed Properties
Molecular Weight:539.6
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:10
Exact Mass:539.11847787
Monoisotopic Mass:539.11847787
Topological Polar Surface Area:176
Heavy Atom Count:37
Complexity:931
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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