EAE
Summary
| Name: | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one |
| Formula: | C13 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 249.329 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7- |
| InChIKey | InChI | 1.03 | BGVLELSCIHASRV-QPEQYQDCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1/C(Sc2ccc(OC)cc12)=C/C(C)=O |
| SMILES | CACTVS | 3.385 | CCN1C(Sc2ccc(OC)cc12)=CC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN\1c2cc(ccc2S/C1=C\C(=O)C)OC |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCN1c2cc(ccc2SC1=CC(=O)C)OC |
