2PW

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Summary

Name:(5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14 H15 N O2 S2
Formal charge:0
Molecular weight:293.404 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C14H15NO2S2/c1-3-9(2)15-13(17)12(19-14(15)18)8-10-4-6-11(16)7-5-10/h4-9,16H,3H2,1-2H3/b12-8+/t9-/m1/s1
InChIKeyInChI1.03REONZIRLQDMCHL-YXYQAXARSA-N
SMILES_CANONICALCACTVS3.385CC[C@@H](C)N1C(=S)SC(=C/c2ccc(O)cc2)/C1=O
SMILESCACTVS3.385CC[CH](C)N1C(=S)SC(=Cc2ccc(O)cc2)C1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S
SMILESOpenEye OEToolkits2.0.7CCC(C)N1C(=O)C(=Cc2ccc(cc2)O)SC1=S
170172
PDB entries from 2020-10-21