SJY
Summary
| Name: | 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid |
| Formula: | C17 H12 O3 S |
| Formal charge: | 0 |
| Formula weight: | 296.34 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[5-methyl-2-(2-thiophen-2-ylethynyl)-1-benzofuran-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H12O3S/c1-11-4-6-15-13(9-11)14(10-17(18)19)16(20-15)7-5-12-3-2-8-21-12/h2-4,6,8-9H,10H2,1H3,(H,18,19) |
| InChIKey | InChI | 1.03 | IEIHBCBAJNGRHJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2oc(C#Cc3sccc3)c(CC(O)=O)c2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2oc(C#Cc3sccc3)c(CC(O)=O)c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)c(c(o2)C#Cc3cccs3)CC(=O)O |
