2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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![2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/bf544048699b4d1fb10c3b9c1c88311a.png "2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid")
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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CAS No:
701231-70-1
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Formula:
C18H16N2O6S2
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Chemical Name:
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
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Synonyms:
2-{[(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid;ZINC2847101;BBL024358;MFCD05987785;STK134672;AKOS000457460;MCULE-9544595779;T9946;AP-853/42423560;701231-70-1
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CAS No:
2-[[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid Basic Attributes
420.5 g/mol
420.04497858 g/mol
Computed Properties
Molecular Weight:420.5
XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:420.04497858
Monoisotopic Mass:420.04497858
Topological Polar Surface Area:158
Heavy Atom Count:28
Complexity:779
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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