Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N#CC4=C(O)c1c(scc1c3ccc(c2ccccc2O)cc3)NC4=O |
InChI | InChI | 1.03 | InChI=1S/C20H12N2O3S/c21-9-14-18(24)17-15(10-26-20(17)22-19(14)25)12-7-5-11(6-8-12)13-3-1-2-4-16(13)23/h1-8,10,23H,(H2,22,24,25) |
InChIKey | InChI | 1.03 | CTESJDQKVOEUOY-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N |
SMILES | CACTVS | 3.385 | Oc1ccccc1c2ccc(cc2)c3csc4NC(=O)C(=C(O)c34)C#N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)c2ccc(cc2)c3csc4c3C(=C(C(=O)N4)C#N)O)O |