I7G
Summary
| Name: | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate |
| Synonyms: | S-2-acetamidoethyl (e)-oct-2-enethioate |
| Formula: | C12 H21 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 243.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{S}-(2-acetamidoethyl) (~{E})-oct-2-enethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H21NO2S/c1-3-4-5-6-7-8-12(15)16-10-9-13-11(2)14/h7-8H,3-6,9-10H2,1-2H3,(H,13,14)/b8-7+ |
| InChIKey | InChI | 1.06 | MHEVUMKRTBGSJW-BQYQJAHWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCC\C=C\C(=O)SCCNC(C)=O |
| SMILES | CACTVS | 3.385 | CCCCCC=CC(=O)SCCNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCC/C=C/C(=O)SCCNC(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCC=CC(=O)SCCNC(=O)C |
