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4WD

Summary
Name:(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C13 H9 N O2 S2
Formal charge:0
Formula weight:275.346 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(5~{Z})-5-[(3-ethynyl-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C13H9NO2S2/c1-3-9-6-8(4-5-10(9)16-2)7-11-12(15)14-13(17)18-11/h1,4-7H,2H3,(H,14,15,17)/b11-7-
InChIKeyInChI1.03RTWZVEFITSUGJS-XFFZJAGNSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(\C=C2/SC(=S)NC2=O)cc1C#C
SMILESCACTVS3.385COc1ccc(C=C2SC(=S)NC2=O)cc1C#C
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(cc1C#C)/C=C\2/C(=O)NC(=S)S2
SMILESOpenEye OEToolkits2.0.7COc1ccc(cc1C#C)C=C2C(=O)NC(=S)S2

222415

PDB entries from 2024-07-10

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