(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers)
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(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers)
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CAS No:
204204-75-1
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Formula:
C20H24ClNO5S
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Chemical Name:
(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers)
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Synonyms:
Methyl [(3E)-4-(acetylsulfanyl)-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl](2-chlorophenyl)acetate;methyl 2-[(3E)-4-acetylsulfanyl-3-(2-ethoxy-2-oxoethylidene)piperidin-1-yl]-2-(2-chlorophenyl)acetate;SCHEMBL6572070;SCHEMBL6572078;DTXSID20573004;J-013298;(3E)-4-(Acetylthio)-|A-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of Diastereomers);(3E)-4-(Acetylthio)-alpha-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester (Mixture of Diastereome rs);(3E)-4-(ACETYLTHIO)-ALPHA-(2-CHLOROPHENYL)-3-(2-ETHOXY-2-OXOETHYLIDENE)-1-PIPERIDINEACETIC ACID METHYL ESTER(MIXTURE OF DIASTEREOMERS);(E)-4-acetylthio-1-(2-chloro-alpha-methoxycarbonylbenzyl)-3-ethoxycarbonylmethylidenepiperidine
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CAS No:
(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers) Basic Attributes
425.92626
425.106
DTXSID20573004
(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers) Use and Manufacturing
Intermediate in the preparation of Oxo Clopidogrel MPB derivatives.
Computed Properties
Molecular Weight:425.9
XLogP3:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:425.1063717
Monoisotopic Mass:425.1063717
Topological Polar Surface Area:98.2
Heavy Atom Count:28
Complexity:611
Undefined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(3E)-4-(Acetylthio)-α-(2-chlorophenyl)-3-(2-ethoxy-2-oxoethylidene)-1-piperidineacetic Acid Methyl Ester(Mixture of DiastereoMers)
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