BOH
Summary
| Name: | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide |
| Formula: | C14 H15 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 305.352 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15N3O3S/c1-7(15)13(20)17-14-16-11(8(2)18)12(21-14)9-4-3-5-10(19)6-9/h3-7,19H,15H2,1-2H3,(H,16,17,20)/t7-/m1/s1 |
| InChIKey | InChI | 1.03 | GDTJBYZKZGXLNU-SSDOTTSWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(C)=O |
| SMILES | CACTVS | 3.385 | C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)Nc1nc(c(s1)c2cccc(c2)O)C(=O)C)N |
