FX4
Summary
| Name: | [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid |
| Synonyms: | [5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid |
| Formula: | C15 H13 N O8 S |
| Formal charge: | 0 |
| Formula weight: | 367.331 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid |
| OpenEye OEToolkits | 1.5.0 | 2-[(5Z)-5-[[3-(carboxymethyloxy)-4-methoxy-phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN1C(=O)C(\SC1=O)=C\c2ccc(OC)c(OCC(=O)O)c2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1OCC(O)=O)\C=C2/SC(=O)N(CC(O)=O)C2=O |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1OCC(O)=O)C=C2SC(=O)N(CC(O)=O)C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OCC(=O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1OCC(=O)O)C=C2C(=O)N(C(=O)S2)CC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H13NO8S/c1-23-9-3-2-8(4-10(9)24-7-13(19)20)5-11-14(21)16(6-12(17)18)15(22)25-11/h2-5H,6-7H2,1H3,(H,17,18)(H,19,20)/b11-5- |
| InChIKey | InChI | 1.03 | DLKPSHJFPIKYCB-WZUFQYTHSA-N |
