B8E
Summary
| Name: | methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate |
| Formula: | C13 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 247.313 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl 2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H13NO2S/c1-9-11(8-12(15)16-2)14-13(17-9)10-6-4-3-5-7-10/h3-7H,8H2,1-2H3 |
| InChIKey | InChI | 1.03 | IGRGQWSVDTYHID-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)Cc1nc(sc1C)c2ccccc2 |
| SMILES | CACTVS | 3.385 | COC(=O)Cc1nc(sc1C)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(s1)c2ccccc2)CC(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1c(nc(s1)c2ccccc2)CC(=O)OC |
