TNO
Summary
Name: | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione |
Formula: | C11 H9 N O4 S |
Formal charge: | 0 |
Formula weight: | 251.258 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5- |
InChIKey | InChI | 1.06 | KAICHBSRWFIESE-UITAMQMPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)/C=C/2SC(=O)NC/2=O |
SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C=C2SC(=O)NC2=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)/C=C\2/C(=O)NC(=O)S2 |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(ccc1O)C=C2C(=O)NC(=O)S2 |