6XI
Summary
| Name: | 3-pyrrol-1-ylthiophene-2-carboxylic acid |
| Formula: | C9 H7 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 193.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.5 | 3-pyrrol-1-ylthiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO2S/c11-9(12)8-7(3-6-13-8)10-4-1-2-5-10/h1-6H,(H,11,12) |
| InChIKey | InChI | 1.03 | WSCYUZJLJQNLSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sccc1n2cccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sccc1n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1ccn(c1)c2ccsc2C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.5 | c1ccn(c1)c2ccsc2C(=O)O |
