| PDB CCD ID: | YXP |
| Number of entries in BioLiP: | 6 |
| Chemical formula: | C13 H11 N O5 S |
| InChI: | InChI=1S/C13H11NO5S/c1-19-9-4-2-8(3-5-9)6-10-12(17)14(7-11(15)16)13(18)20-10/h2-6H,7H2,1H3,(H,15,16)/b10-6- |
| InChIKey: | VMHLNIJHJPIPKG-POHAHGRESA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | COc1ccc(cc1)C=C2C(=O)N(C(=O)S2)CC(=O)O | | OpenEye OEToolkits 2.0.7 | COc1ccc(cc1)/C=C\2/C(=O)N(C(=O)S2)CC(=O)O | | CACTVS 3.385 | COc1ccc(cc1)C=C2SC(=O)N(CC(O)=O)C2=O | | CACTVS 3.385 | COc1ccc(cc1)/C=C/2SC(=O)N(CC(O)=O)C/2=O | | ACDLabs 12.01 | OC(=O)CN1C(=O)C(=C/c2ccc(OC)cc2)/SC1=O |
|
| Name: | {(5Z)-5-[(4-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetic acid |
| ChEMBL: | CHEMBL2263549 |
| ZINC: | ZINC000012564378 |
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