JRM
Summary
| Name: | methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate |
| Formula: | C15 H16 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 304.364 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-(4-phenyl-1,3-thiazol-2-yl)-N-propanoylglycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[(4-phenyl-1,3-thiazol-2-yl)-propanoyl-amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(N(CC(=O)OC)C(CC)=O)scc1c2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C15H16N2O3S/c1-3-13(18)17(9-14(19)20-2)15-16-12(10-21-15)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | InChI | 1.03 | RUJYJZHKENFJPK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCC(=O)N(CC(=O)OC)c1scc(n1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CCC(=O)N(CC(=O)OC)c1scc(n1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(=O)N(CC(=O)OC)c1nc(cs1)c2ccccc2 |
