A1E4O
Summary
| Name: | 7-bromanyl-5-chloranyl-3-(2-hydroxyethylamino)-1-benzothiophene-2-carboxylic acid |
| Formula: | C11 H9 Br Cl N O3 S |
| Formal charge: | 0 |
| Formula weight: | 350.616 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-bromanyl-5-chloranyl-3-(2-hydroxyethylamino)-1-benzothiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C11H9BrClNO3S/c12-7-4-5(13)3-6-8(14-1-2-15)10(11(16)17)18-9(6)7/h3-4,14-15H,1-2H2,(H,16,17) |
| InChIKey | InChI | 1.06 | GRAAHUIYJSJKCJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNc1c(sc2c(Br)cc(Cl)cc12)C(O)=O |
| SMILES | CACTVS | 3.385 | OCCNc1c(sc2c(Br)cc(Cl)cc12)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1c(c(s2)C(=O)O)NCCO)Br)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1c(c(s2)C(=O)O)NCCO)Br)Cl |
