A1E1J
Summary
| Name: | 7-bromanyl-5-chloranyl-3-phenylazanyl-1-benzothiophene-2-carboxylic acid |
| Formula: | C15 H9 Br Cl N O2 S |
| Formal charge: | 0 |
| Formula weight: | 382.659 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-bromanyl-5-chloranyl-3-phenylazanyl-1-benzothiophene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H9BrClNO2S/c16-11-7-8(17)6-10-12(14(15(19)20)21-13(10)11)18-9-4-2-1-3-5-9/h1-7,18H,(H,19,20) |
| InChIKey | InChI | 1.06 | OCWRDSJSPCXCEU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1sc2c(Br)cc(Cl)cc2c1Nc3ccccc3 |
| SMILES | CACTVS | 3.385 | OC(=O)c1sc2c(Br)cc(Cl)cc2c1Nc3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2c3cc(cc(c3sc2C(=O)O)Br)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Nc2c3cc(cc(c3sc2C(=O)O)Br)Cl |
