4WL
Summary
| Name: | 4H-THIENO[3,2-B]PYROLE-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 | 4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
| OpenEye OEToolkits | 1.9.2 | 4H-thieno[3,2-b]pyrrole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2cc1sccc1n2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10) |
| InChIKey | InChI | 1.03 | PMHDSACGRKBACK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1[nH]c2ccsc2c1 |
| SMILES | CACTVS | 3.385 | OC(=O)c1[nH]c2ccsc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1csc2c1[nH]c(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1csc2c1[nH]c(c2)C(=O)O |
