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A1IYV

Summary
Name:(2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
Synonyms:PEPTIDE DERIVED CHROMOPHORE
Formula:C18 H16 N2 O3 S
Formal charge:0
Formula weight:340.396 Da
Component type:non-polymer

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C18H16N2O3S/c1-11-4-3-5-13(8-11)19-18-20-17(22)16(24-18)10-12-6-7-15(23-2)14(21)9-12/h3-10,21H,1-2H3,(H,19,20,22)/b16-10-
InChIKeyInChI1.06KEFDMGNZNIQUEO-YBEGLDIGSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(C)c3
SMILESCACTVS3.385COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(C)c3
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cccc(c1)/N=C\2/NC(=O)/C(=C/c3ccc(c(c3)O)OC)/S2
SMILESOpenEye OEToolkits2.0.7Cc1cccc(c1)N=C2NC(=O)C(=Cc3ccc(c(c3)O)OC)S2

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PDB entries from 2025-05-07

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