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J19

Summary
Name:(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
Formula:C17 H13 Cl N2 O3 S
Formal charge:0
Formula weight:360.815 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z,5Z)-2-[(2-chlorophenyl)imino]-5-(4-hydroxy-3-methoxybenzylidene)-1,3-thiazolidin-4-one
OpenEye OEToolkits1.7.6(2Z,5Z)-2-(2-chlorophenyl)imino-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3ccccc3\N=C1/S/C(C(=O)N1)=C\c2ccc(O)c(OC)c2
InChIInChI1.03InChI=1S/C17H13ClN2O3S/c1-23-14-8-10(6-7-13(14)21)9-15-16(22)20-17(24-15)19-12-5-3-2-4-11(12)18/h2-9,21H,1H3,(H,19,20,22)/b15-9-
InChIKeyInChI1.03CEYSJUACBKYCKN-DHDCSXOGSA-N
SMILES_CANONICALCACTVS3.370COc1cc(ccc1O)/C=C/2SC(NC/2=O)=Nc3ccccc3Cl
SMILESCACTVS3.370COc1cc(ccc1O)C=C2SC(NC2=O)=Nc3ccccc3Cl
SMILES_CANONICALOpenEye OEToolkits1.7.6COc1cc(ccc1O)/C=C\2/C(=O)N/C(=N/c3ccccc3Cl)/S2
SMILESOpenEye OEToolkits1.7.6COc1cc(ccc1O)C=C2C(=O)NC(=Nc3ccccc3Cl)S2

218853

PDB entries from 2024-04-24

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