OTA
Summary
| Name: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID |
| Formula: | C10 H10 N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 270.262 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-[(carboxycarbonyl)amino]-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 2-(carboxycarbonylamino)-4,5,6,7-tetrahydrothieno[5,4-c]pyridine-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2 |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1sc2CNCCc2c1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | C1CNCc2c1c(c(s2)NC(=O)C(=O)O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17) |
| InChIKey | InChI | 1.03 | ZIBMATWHOAGNTR-UHFFFAOYSA-N |
