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GH2

Summary
Name:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
Formula:C17 H17 F3 N2 O3 S
Formal charge:0
Formula weight:386.389 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C17H17F3N2O3S/c1-2-25-15(23)9-14-22-13(10-26-14)11-3-5-12(6-4-11)16(24)21-8-7-17(18,19)20/h3-6,10H,2,7-9H2,1H3,(H,21,24)
InChIKeyInChI1.03BTOQSHVHCYLPJO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESCACTVS3.385CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits2.0.6CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(F)F

218500

PDB entries from 2024-04-17

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