[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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![[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/e9533d3d27e744dfb83fde9c11d05c74.png "[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate")
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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CAS No:
796085-60-4
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Formula:
C19H22N2O6S
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Chemical Name:
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
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Synonyms:
MLS000336083;ZINC3343033;AKOS033647414;SMR000253937;SR-01000061637;SR-01000061637-1;Z18882330;4-[({[3-(ethoxycarbonyl)-4-(2-methylpropyl)thiophen-2-yl]carbamoyl}methoxy)carbonyl]pyridin-1-ium-1-olate;796085-60-4
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CAS No:
[2-[[3-ethoxycarbonyl-4-(2-methylpropyl)thiophen-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes
406.5 g/mol
406.11985760 g/mol
Computed Properties
Molecular Weight:406.5
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:406.11985760
Monoisotopic Mass:406.11985760
Topological Polar Surface Area:135
Heavy Atom Count:28
Complexity:551
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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