982
Summary
| Name: | 3-(CARBOXYMETHOXY)THIENO[2,3-B]PYRIDINE-2-CARBOXYLIC ACID |
| Formula: | C10 H7 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 253.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-(carboxymethoxy)thieno[2,3-b]pyridine-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(carboxymethyloxy)thieno[5,4-b]pyridine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)COc1c2cccnc2sc1C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)COc1c(sc2ncccc12)C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)COc1c(sc2ncccc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2c(c(sc2nc1)C(=O)O)OCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H7NO5S/c12-6(13)4-16-7-5-2-1-3-11-9(5)17-8(7)10(14)15/h1-3H,4H2,(H,12,13)(H,14,15) |
| InChIKey | InChI | 1.03 | JGZSWLHKOMFYHS-UHFFFAOYSA-N |
