Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(OC(=O)CC2Sc1ccccc1NC2=O)C=3NC(c5c(N=3)scc5c4ccccc4)=O |
InChI | InChI | 1.03 | InChI=1S/C24H19N3O4S2/c1-13(31-19(28)11-18-22(29)25-16-9-5-6-10-17(16)33-18)21-26-23(30)20-15(12-32-24(20)27-21)14-7-3-2-4-8-14/h2-10,12-13,18H,11H2,1H3,(H,25,29)(H,26,27,30)/t13-,18-/m0/s1 |
InChIKey | InChI | 1.03 | KTBNGJHCLCHCKH-UGSOOPFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](OC(=O)C[C@@H]1Sc2ccccc2NC1=O)C3=Nc4scc(c5ccccc5)c4C(=O)N3 |
SMILES | CACTVS | 3.385 | C[CH](OC(=O)C[CH]1Sc2ccccc2NC1=O)C3=Nc4scc(c5ccccc5)c4C(=O)N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@@H](C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)C[C@H]4C(=O)Nc5ccccc5S4 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C1=Nc2c(c(cs2)c3ccccc3)C(=O)N1)OC(=O)CC4C(=O)Nc5ccccc5S4 |