| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | FC(F)(F)c3cc(C#N)ccc3Oc1c(OC)cc(cc1)CC2SC(=O)NC2=O |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1cc(C[C@H]2SC(=O)NC2=O)ccc1Oc3ccc(cc3C(F)(F)F)C#N |
| SMILES | CACTVS | 3.352 | COc1cc(C[CH]2SC(=O)NC2=O)ccc1Oc3ccc(cc3C(F)(F)F)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)C[C@@H]3C(=O)NC(=O)S3 |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)CC3C(=O)NC(=O)S3 |
| InChI | InChI | 1.03 | InChI=1S/C19H13F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-7,16H,8H2,1H3,(H,24,25,26)/t16-/m1/s1 |
| InChIKey | InChI | 1.03 | IOTPZQVXYNGZSS-MRXNPFEDSA-N |
