A1CKZ
Summary
| Name: | (2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal |
| Formula: | C14 H15 N O S2 |
| Formal charge: | 0 |
| Formula weight: | 277.405 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal |
| OpenEye OEToolkits | 3.1.0.0 | (~{E})-3-[5-[5-(dimethylamino)thiophen-2-yl]thiophen-2-yl]but-2-enal |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CN(C)c1ccc(s1)c1sc(cc1)C(\C)=C\C=O |
| InChI | InChI | 1.06 | InChI=1S/C14H15NOS2/c1-10(8-9-16)11-4-5-12(17-11)13-6-7-14(18-13)15(2)3/h4-9H,1-3H3/b10-8+ |
| InChIKey | InChI | 1.06 | NQSQDLBCNOTRND-CSKARUKUSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(C)c1sc(cc1)c2sc(cc2)\C(C)=C\C=O |
| SMILES | CACTVS | 3.385 | CN(C)c1sc(cc1)c2sc(cc2)C(C)=CC=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C/C(=C\C=O)/c1ccc(s1)c2ccc(s2)N(C)C |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(=CC=O)c1ccc(s1)c2ccc(s2)N(C)C |
