ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
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![ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/454e3320ee5844a9bd1ead782661bbfe.png "ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate")
ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
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CAS No:
355810-23-0
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Formula:
C27H27NO3S3
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Chemical Name:
ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate
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Synonyms:
ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate;STK041496;ZINC13575162;AKOS000618195;(Z)-ethyl 2-(1-isobutyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate;355810-23-0;ethyl (2Z)-2-(1-isobutyryl-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-5-phenyl-1,3-dithiole-4-carboxylate;ethyl 2-(2,2-dimethyl-1-(2-methylpropanoyl)-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-5-phenyl-1,3-dithiole-4-carboxylate
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CAS No:
ethyl (2Z)-2-[2,2-dimethyl-1-(2-methylpropanoyl)-3-sulfanylidenequinolin-4-ylidene]-5-phenyl-1,3-dithiole-4-carboxylate Basic Attributes
509.7 g/mol
509.11530724 g/mol
Computed Properties
Molecular Weight:509.7
XLogP3:6.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:509.11530724
Monoisotopic Mass:509.11530724
Topological Polar Surface Area:129
Heavy Atom Count:34
Complexity:914
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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