A1CKU
Summary
| Name: | (2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal |
| Formula: | C10 H13 N O S |
| Formal charge: | 0 |
| Formula weight: | 195.281 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(=C\C=O)c1ccc(s1)N(C)C |
| InChI | InChI | 1.06 | InChI=1S/C10H13NOS/c1-8(6-7-12)9-4-5-10(13-9)11(2)3/h4-7H,1-3H3/b8-6+ |
| InChIKey | InChI | 1.06 | OHTTZWOXIMXANB-SOFGYWHQSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1sc(cc1)C(/C)=C/C=O |
| SMILES | CACTVS | 3.385 | CN(C)c1sc(cc1)C(C)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(s1)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(s1)N(C)C |
