G5W
Summary
| Name: | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide |
| Formula: | C15 H17 N3 O3 S |
| Formal charge: | 0 |
| Formula weight: | 319.379 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C15H17N3O3S/c1-8(16)14(20)18-15-17-12(9(2)19)13(22-15)10-5-4-6-11(7-10)21-3/h4-8H,16H2,1-3H3,(H,17,18,20)/t8-/m1/s1 |
| InChIKey | InChI | 1.03 | RXAAAHIWJRPSEA-MRVPVSSYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(c1)c2sc(NC(=O)[C@@H](C)N)nc2C(C)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(c1)c2sc(NC(=O)[CH](C)N)nc2C(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | C[C@H](C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(C(=O)Nc1nc(c(s1)c2cccc(c2)OC)C(=O)C)N |
