OPA
Summary
| Name: | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID |
| Formula: | C10 H9 N O6 S |
| Formal charge: | 0 |
| Formula weight: | 271.247 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(carboxycarbonyl)amino]-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(carboxycarbonylamino)-5,7-dihydro-4H-thieno[5,4-c]pyran-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCOC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2COCCc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1COCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H9NO6S/c12-7(10(15)16)11-8-6(9(13)14)4-1-2-17-3-5(4)18-8/h1-3H2,(H,11,12)(H,13,14)(H,15,16) |
| InChIKey | InChI | 1.03 | SNNOZMNTPOIDSI-UHFFFAOYSA-N |
