4ZA
Summary
| Name: | 6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
| Formula: | C7 H5 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 167.185 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 6H-thieno[2,3-b]pyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c12nc(C(O)=O)cc1ccs2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO2S/c9-7(10)5-3-4-1-2-11-6(4)8-5/h1-3,8H,(H,9,10) |
| InChIKey | InChI | 1.03 | SEPXFZLYPWFMSY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2sccc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2sccc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1csc2c1cc([nH]2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1csc2c1cc([nH]2)C(=O)O |
