Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(Cc1ccsc1)N1CC2CC2C1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C12H13NO3S/c14-10(3-7-1-2-17-6-7)13-5-8-4-9(8)11(13)12(15)16/h1-2,6,8-9,11H,3-5H2,(H,15,16)/t8-,9+,11-/m1/s1 |
InChIKey | InChI | 1.06 | IEIVODVUCQZQDX-WCABBAIRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1[C@@H]2C[C@@H]2CN1C(=O)Cc3cscc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1[CH]2C[CH]2CN1C(=O)Cc3cscc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cscc1CC(=O)N2C[C@@H]3C[C@@H]3[C@@H]2C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cscc1CC(=O)N2CC3CC3C2C(=O)O |