A1APK
Summary
| Name: | N-({2-[2-chloro-4-(methoxymethoxy)phenyl]-1,3-thiazol-4-yl}acetyl)glycine |
| Synonyms: | SJ10278 |
| Formula: | C15 H15 Cl N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 370.808 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-({2-[2-chloro-4-(methoxymethoxy)phenyl]-1,3-thiazol-4-yl}acetyl)glycine |
| OpenEye OEToolkits | 2.0.7 | 2-[2-[2-[2-chloranyl-4-(methoxymethoxy)phenyl]-1,3-thiazol-4-yl]ethanoylamino]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CNC(=O)Cc1csc(n1)c1ccc(cc1Cl)OCOC |
| InChI | InChI | 1.06 | InChI=1S/C15H15ClN2O5S/c1-22-8-23-10-2-3-11(12(16)5-10)15-18-9(7-24-15)4-13(19)17-6-14(20)21/h2-3,5,7H,4,6,8H2,1H3,(H,17,19)(H,20,21) |
| InChIKey | InChI | 1.06 | MOVMDJVZNRFJJJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCOc1ccc(c(Cl)c1)c2scc(CC(=O)NCC(O)=O)n2 |
| SMILES | CACTVS | 3.385 | COCOc1ccc(c(Cl)c1)c2scc(CC(=O)NCC(O)=O)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCOc1ccc(c(c1)Cl)c2nc(cs2)CC(=O)NCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COCOc1ccc(c(c1)Cl)c2nc(cs2)CC(=O)NCC(=O)O |
