1UJ
Summary
| Name: | methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate |
| Formula: | C11 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 250.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-(acetylamino)-1,3-benzothiazole-6-carboxylate |
| OpenEye OEToolkits | 1.7.6 | methyl 2-acetamido-1,3-benzothiazole-6-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OC)c1ccc2nc(sc2c1)NC(=O)C |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O3S/c1-6(14)12-11-13-8-4-3-7(10(15)16-2)5-9(8)17-11/h3-5H,1-2H3,(H,12,13,14) |
| InChIKey | InChI | 1.03 | SJYCCQFFJCNNSS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1ccc2nc(NC(C)=O)sc2c1 |
| SMILES | CACTVS | 3.370 | COC(=O)c1ccc2nc(NC(C)=O)sc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(=O)Nc1nc2ccc(cc2s1)C(=O)OC |
