4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
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![4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/33a6219fc9ae4a27b65414b6438d5d75.png "4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid")
4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
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CAS No:
331760-61-3
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Formula:
C15H17NO6S
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Chemical Name:
4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
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Synonyms:
4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}-4-oxobutanoic acid;Oprea1_173265;Oprea1_690951;CBDivE_011485;SCHEMBL8288610;ZINC3683331;BBL000728;CCG-17879;MFCD00397379;STK279912
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CAS No:
4-{[3-(ethoxycarbonyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid Basic Attributes
339.36358
339.078
Computed Properties
Molecular Weight:339.4
XLogP3:1.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:339.07765844
Monoisotopic Mass:339.07765844
Topological Polar Surface Area:138
Heavy Atom Count:23
Complexity:508
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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