Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CN2c3c(SC(c1ccccc1)CC2=O)cccc3 |
SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CN1C(=O)C[C@H](Sc2ccccc12)c3ccccc3 |
SMILES | CACTVS | 3.370 | OC(=O)CN1C(=O)C[CH](Sc2ccccc12)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)[C@@H]2CC(=O)N(c3ccccc3S2)CC(=O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)C2CC(=O)N(c3ccccc3S2)CC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C17H15NO3S/c19-16-10-15(12-6-2-1-3-7-12)22-14-9-5-4-8-13(14)18(16)11-17(20)21/h1-9,15H,10-11H2,(H,20,21)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | FGIBWKPQWXRUBP-HNNXBMFYSA-N |