R8Y
Summary
| Name: | N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine |
| Formula: | C10 H13 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 227.28 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-ethyl-N-(thiophene-2-carbonyl)-beta-alanine |
| OpenEye OEToolkits | 2.0.6 | 3-[ethyl(thiophen-2-ylcarbonyl)amino]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(CCN(C(c1sccc1)=O)CC)(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C10H13NO3S/c1-2-11(6-5-9(12)13)10(14)8-4-3-7-15-8/h3-4,7H,2,5-6H2,1H3,(H,12,13) |
| InChIKey | InChI | 1.03 | MURLSDPMXFXJIW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN(CCC(O)=O)C(=O)c1sccc1 |
| SMILES | CACTVS | 3.385 | CCN(CCC(O)=O)C(=O)c1sccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN(CCC(=O)O)C(=O)c1cccs1 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN(CCC(=O)O)C(=O)c1cccs1 |
