| PDB CCD ID: | 7L7 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C13 H9 F N2 O3 S |
| InChI: | 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: | HTTRHNVVYSAQQD-WQLSENKSSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | COC(=O)C(=C1N(C(=O)CS1)c2ccccc2F)C#N | | CACTVS 3.385 | COC(=O)C(C#N)=C1SCC(=O)N1c2ccccc2F | | CACTVS 3.385 | COC(=O)/C(C#N)=C/1SCC(=O)N/1c2ccccc2F | | OpenEye OEToolkits 2.0.6 | COC(=O)/C(=C\1/N(C(=O)CS1)c2ccccc2F)/C#N |
|
| Name: | methyl (2~{Z})-2-cyano-2-[3-(2-fluorophenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate |
| ChEMBL: | CHEMBL4290037 |
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