64B
Summary
| Name: | methyl (2Z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate |
| Formula: | C14 H11 F N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 322.312 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl (2Z)-cyano[3-(2-fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetate |
| OpenEye OEToolkits | 2.0.4 | methyl (2~{Z})-2-cyano-2-[3-(2-fluoranyl-4-methoxy-phenyl)-4-oxidanylidene-1,3-thiazolidin-2-ylidene]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(/C(C(=O)OC)=C1/SCC(N1c2c(cc(OC)cc2)F)=O)#N |
| InChI | InChI | 1.03 | InChI=1S/C14H11FN2O4S/c1-20-8-3-4-11(10(15)5-8)17-12(18)7-22-13(17)9(6-16)14(19)21-2/h3-5H,7H2,1-2H3/b13-9- |
| InChIKey | InChI | 1.03 | XAORSEKHZCMSPW-LCYFTJDESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)C(/C#N)=C/1SCC(=O)N/1c2ccc(OC)cc2F |
| SMILES | CACTVS | 3.385 | COC(=O)C(C#N)=C1SCC(=O)N1c2ccc(OC)cc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(c(c1)F)N\2C(=O)CS/C2=C(/C#N)\C(=O)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(c(c1)F)N2C(=O)CSC2=C(C#N)C(=O)OC |
