QGE
Summary
| Name: | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
| Formula: | C18 H17 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 343.397 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | [3-(4-methyl-1,3-thiazol-2-yl)-4-oxidanylidene-6-propyl-chromen-7-yl] ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H17NO4S/c1-4-5-12-6-13-16(7-15(12)23-11(3)20)22-8-14(17(13)21)18-19-10(2)9-24-18/h6-9H,4-5H2,1-3H3 |
| InChIKey | InChI | 1.03 | FVMKJEVPLWCLMC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3 |
| SMILES | CACTVS | 3.385 | CCCc1cc2C(=O)C(=COc2cc1OC(C)=O)c3scc(C)n3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCc1cc2c(cc1OC(=O)C)OC=C(C2=O)c3nc(cs3)C |
