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BYM

Summary
Name:(5E)-5-[(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)METHYLENE]-1,3-THIAZOLIDINE-2,4-DIONE
Formula:C11 H5 F2 N O4 S
Formal charge:0
Formula weight:285.224 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits1.5.0(5Z)-5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylidene]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1C(\SC(=O)N1)=C\c3ccc2OC(F)(F)Oc2c3
SMILES_CANONICALCACTVS3.341FC1(F)Oc2ccc(cc2O1)/C=C/3SC(=O)NC/3=O
SMILESCACTVS3.341FC1(F)Oc2ccc(cc2O1)C=C3SC(=O)NC3=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc2c(cc1\C=C/3\C(=O)NC(=O)S3)OC(O2)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc2c(cc1C=C3C(=O)NC(=O)S3)OC(O2)(F)F
InChIInChI1.03InChI=1S/C11H5F2NO4S/c12-11(13)17-6-2-1-5(3-7(6)18-11)4-8-9(15)14-10(16)19-8/h1-4H,(H,14,15,16)/b8-4-
InChIKeyInChI1.03SRLVNYDXMUGOFI-YWEYNIOJSA-N

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PDB entries from 2024-04-24

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