DAC
Summary
| Name: | 2-DECENOYL N-ACETYL CYSTEAMINE |
| Formula: | C14 H25 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 271.419 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | S-[2-(acetylamino)ethyl] (2Z)-dec-2-enethioate |
| OpenEye OEToolkits | 1.5.0 | S-(2-acetamidoethyl) (Z)-dec-2-enethioate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(SCCNC(=O)C)\C=C/CCCCCCC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCCCCCC\C=C/C(=O)SCCNC(C)=O |
| SMILES | CACTVS | 3.341 | CCCCCCCC=CC(=O)SCCNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCCCCCC\C=C/C(=O)SCCNC(=O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCCCCCCC=CC(=O)SCCNC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9- |
| InChIKey | InChI | 1.03 | HYDKTIAWESXLEF-KTKRTIGZSA-N |
