Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1csc2ccccc21 |
InChI | InChI | 1.06 | InChI=1S/C24H16O3S2/c25-22(15-8-1-2-9-16(15)24(26)27)21-17-10-4-6-12-20(17)29-23(21)18-13-28-19-11-5-3-7-14(18)19/h1-13,21,23H,(H,26,27)/t21-,23-/m1/s1 |
InChIKey | InChI | 1.06 | NTRXBLTVBRCVPP-FYYLOGMGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)[C@@H]2[C@H](Sc3ccccc23)c4csc5ccccc45 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1C(=O)[CH]2[CH](Sc3ccccc23)c4csc5ccccc45 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)[C@@H]3[C@H](c4ccccc4S3)C(=O)c5ccccc5C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2c(c1)c(cs2)C3C(c4ccccc4S3)C(=O)c5ccccc5C(=O)O |