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 |