Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
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![Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6135de4df22a476d99d239ee07790fa6.png "Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate")
Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
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CAS No:
141109-21-9
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Formula:
C15H16ClNO2S.C10H16O4S
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Chemical Name:
Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
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Synonyms:
Benzeneacetic acid,2-chloro-α-[[2-(2-thienyl)ethyl]amino]-,methyl ester,(αS)-,(1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate;Benzeneacetic acid,2-chloro-α-[[2-(2-thienyl)ethyl]amino]-,methyl ester,(+)-,(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate;Bicyclo[2.2.1]heptane-1-methanesulfonic acid,7,7-dimethyl-2-oxo-,(1S)-,compd. with (+)-methyl 2-chloro-α-[[2-(2-thienyl)ethyl]amino]benzeneacetate (1:1);Bicyclo[2.2.1]heptane-1-methanesulfonic acid,7,7-dimethyl-2-oxo-,(1S,4R)-,compd. with methyl (αS)-2-chloro-α-[[2-(2-thienyl)ethyl]amino]benzeneacetate (1:1)
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CAS No:
Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate Basic Attributes
542.114
541.13600
Computed Properties
Molecular Weight:542.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:9
Exact Mass:541.1359578
Monoisotopic Mass:541.1359578
Topological Polar Surface Area:146
Heavy Atom Count:35
Complexity:720
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, (αS)-, (1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulfonate
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