A1AXS
Summary
| Name: | N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N-methylthiophene-2-carboxamide |
| Formula: | C13 H15 N O S |
| Formal charge: | 0 |
| Formula weight: | 233.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[(1R,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl]-N-methylthiophene-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(1~{R},2~{R},4~{R})-2-bicyclo[2.2.1]hept-5-enyl]-~{N}-methyl-thiophene-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CN(C(=O)c1cccs1)C1CC2C=CC1C2 |
| InChI | InChI | 1.06 | InChI=1S/C13H15NOS/c1-14(13(15)12-3-2-6-16-12)11-8-9-4-5-10(11)7-9/h2-6,9-11H,7-8H2,1H3/t9-,10-,11+/m0/s1 |
| InChIKey | InChI | 1.06 | VKFNIERQIFCMNR-GARJFASQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN([C@@H]1C[C@H]2C[C@@H]1C=C2)C(=O)c3sccc3 |
| SMILES | CACTVS | 3.385 | CN([CH]1C[CH]2C[CH]1C=C2)C(=O)c3sccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN([C@@H]1C[C@H]2C[C@@H]1C=C2)C(=O)c3cccs3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN(C1CC2CC1C=C2)C(=O)c3cccs3 |
