T5Z
Summary
| Name: | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
| Formula: | C13 H18 Br N O3 S |
| Formal charge: | 0 |
| Formula weight: | 348.256 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(4-bromanyl-3-methoxy-phenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H18BrNO3S/c1-13(2,12(16)15-6-7-19)18-9-4-5-10(14)11(8-9)17-3/h4-5,8,19H,6-7H2,1-3H3,(H,15,16) |
| InChIKey | InChI | 1.03 | QVVVMZSMTQUOMU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br |
| SMILES | CACTVS | 3.385 | COc1cc(OC(C)(C)C(=O)NCCS)ccc1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)NCCS)Oc1ccc(c(c1)OC)Br |
