A1CO5
Summary
| Name: | 4-(4-methoxyphenyl)-2H-1lambda~4~,3-thiazol-2-one |
| Formula: | C10 H9 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 207.249 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-(4-methoxyphenyl)-2H-1lambda~4~,3-thiazol-2-one |
| OpenEye OEToolkits | 3.1.0.0 | 4-(4-methoxyphenyl)-1,3-thiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1ccc(cc1)C1=NC(=O)S=C1 |
| InChI | InChI | 1.06 | InChI=1S/C10H9NO2S/c1-13-8-4-2-7(3-5-8)9-6-14-10(12)11-9/h2-6,14H,1H3 |
| InChIKey | InChI | 1.06 | GVDQKWMPDYNPOC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)C2=NC(=O)[SH]=C2 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)C2=NC(=O)[SH]=C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C2=NC(=O)S=C2 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccc(cc1)C2=NC(=O)S=C2 |
