A1KDF
Summary
| Name: | 2-[3-[5-[3-(5-carboxy-4-methyl-1,3-thiazol-2-yl)phenoxy]pentoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
| Formula: | C27 H26 N2 O6 S2 |
| Formal charge: | 0 |
| Formula weight: | 538.635 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[3-[5-[3-(5-carboxy-4-methyl-1,3-thiazol-2-yl)phenoxy]pentoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H26N2O6S2/c1-16-22(26(30)31)36-24(28-16)18-8-6-10-20(14-18)34-12-4-3-5-13-35-21-11-7-9-19(15-21)25-29-17(2)23(37-25)27(32)33/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,30,31)(H,32,33) |
| InChIKey | InChI | 1.06 | GFMFSAFMPGKVSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2cccc(OCCCCCOc3cccc(c3)c4sc(C(O)=O)c(C)n4)c2 |
| SMILES | CACTVS | 3.385 | Cc1nc(sc1C(O)=O)c2cccc(OCCCCCOc3cccc(c3)c4sc(C(O)=O)c(C)n4)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)c2cccc(c2)OCCCCCOc3cccc(c3)c4nc(c(s4)C(=O)O)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(sc(n1)c2cccc(c2)OCCCCCOc3cccc(c3)c4nc(c(s4)C(=O)O)C)C(=O)O |
