Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

GDY

Summary
Name:(5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
Formula:C16 H13 N O3 S2
Formal charge:0
Formula weight:331.409 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
OpenEye OEToolkits2.0.65-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=O
InChIInChI1.03InChI=1S/C16H13NO3S2/c18-15-14(22-16(19)17-15)10-11-3-5-12(6-4-11)20-8-7-13-2-1-9-21-13/h1-6,9-10H,7-8H2,(H,17,18,19)
InChIKeyInChI1.03NTKWOUHXDKSPIX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385O=C1NC(=O)/C(S1)=C/c2ccc(OCCc3sccc3)cc2
SMILESCACTVS3.385O=C1NC(=O)C(S1)=Cc2ccc(OCCc3sccc3)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3
SMILESOpenEye OEToolkits2.0.6c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)S3

219140

PDB entries from 2024-05-01

PDB statisticsPDBj update infoContact PDBjnumon