6EY

(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one

Created:2016-03-24
Last modified:  2016-09-14

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count1
Bond Count47
Aromatic Bond Count17
2D diagram of 6EY
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Chemical Component Summary

Name(6R)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(3-hydroxyphenyl)-6-(thiophen-3-yl)-5,6-dihydropyridin-2(1H)-one
Systematic Name (OpenEye OEToolkits)(2~{R})-5-(2-chlorophenyl)sulfanyl-2-(3-hydroxyphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
FormulaC21 H16 Cl N O3 S2
Molecular Weight429.94
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C=1(C(=O)NC(CC=1O)(c2cccc(O)c2)c3ccsc3)Sc4ccccc4Cl
SMILESCACTVS3.385OC1=C(Sc2ccccc2Cl)C(=O)N[C](C1)(c3cscc3)c4cccc(O)c4
SMILESOpenEye OEToolkits2.0.4c1ccc(c(c1)SC2=C(CC(NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl
Canonical SMILESCACTVS3.385 OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c3cscc3)c4cccc(O)c4
Canonical SMILESOpenEye OEToolkits2.0.4 c1ccc(c(c1)SC2=C(C[C@@](NC2=O)(c3cccc(c3)O)c4ccsc4)O)Cl
InChIInChI1.03 InChI=1S/C21H16ClNO3S2/c22-16-6-1-2-7-18(16)28-19-17(25)11-21(23-20(19)26,14-8-9-27-12-14)13-4-3-5-15(24)10-13/h1-10,12,24-25H,11H2,(H,23,26)/t21-/m1/s1
InChIKeyInChI1.03 OMRJWBOJLQCFAO-OAQYLSRUSA-N

Related Resource References

Resource NameReference
PubChem 121596335