54D
Summary
| Name: | methyl thiophene-2-carboxylate |
| Formula: | C6 H6 O2 S |
| Formal charge: | 0 |
| Formula weight: | 142.176 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl thiophene-2-carboxylate |
| OpenEye OEToolkits | 1.5.0 | methyl thiophene-2-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(OC)c1sccc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)c1sccc1 |
| SMILES | CACTVS | 3.341 | COC(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)c1cccs1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)c1cccs1 |
| InChI | InChI | 1.03 | InChI=1S/C6H6O2S/c1-8-6(7)5-3-2-4-9-5/h2-4H,1H3 |
| InChIKey | InChI | 1.03 | PGBFYLVIMDQYMS-UHFFFAOYSA-N |
