BQU
Summary
| Name: | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid |
| Formula: | C19 H18 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 354.423 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C19H18N2O3S/c20-16-8-6-14(10-13(16)7-9-19(22)23)17-12-25-18(21-17)11-24-15-4-2-1-3-5-15/h1-6,8,10,12H,7,9,11,20H2,(H,22,23) |
| InChIKey | InChI | 1.03 | RXPAQUQGUPYCSG-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2 |
| SMILES | CACTVS | 3.385 | Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O)N |
