7L7
Summary
| Name: | methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate |
| Formula: | C13 H9 F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 292.286 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H9FN2O3S/c1-19-13(18)8(6-15)12-16(11(17)7-20-12)10-5-3-2-4-9(10)14/h2-5H,7H2,1H3/b12-8- |
| InChIKey | InChI | 1.03 | HTTRHNVVYSAQQD-WQLSENKSSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)/C(C#N)=C/1SCC(=O)N/1c2ccccc2F |
| SMILES | CACTVS | 3.385 | COC(=O)C(C#N)=C1SCC(=O)N1c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COC(=O)C(=C1N(C(=O)CS1)c2ccccc2F)C#N |
