A1CKW
Summary
| Name: | (2E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]but-2-enal |
| Formula: | C15 H14 O2 S |
| Formal charge: | 0 |
| Formula weight: | 258.335 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]but-2-enal |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-[5-(4-methoxyphenyl)thiophen-2-yl]but-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | C/C(=C\C=O)c1ccc(s1)c1ccc(OC)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C15H14O2S/c1-11(9-10-16)14-7-8-15(18-14)12-3-5-13(17-2)6-4-12/h3-10H,1-2H3/b11-9+ |
| InChIKey | InChI | 1.06 | KAMTWDJTZDCGFP-PKNBQFBNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2sc(cc2)\C(C)=C\C=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2sc(cc2)C(C)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(s1)c2ccc(cc2)OC |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(s1)c2ccc(cc2)OC |
