Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)N2Cc1sc(c(c1CC2)C(=O)OCC)NC(=O)Cc3sccc3 |
InChI | InChI | 1.03 | InChI=1S/C19H22N2O5S2/c1-3-25-18(23)16-13-7-8-21(19(24)26-4-2)11-14(13)28-17(16)20-15(22)10-12-6-5-9-27-12/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H,20,22) |
InChIKey | InChI | 1.03 | ZDMGIZFQKKDWAO-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OCC |
SMILES | CACTVS | 3.370 | CCOC(=O)N1CCc2c(C1)sc(NC(=O)Cc3sccc3)c2C(=O)OCC |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC |
SMILES | OpenEye OEToolkits | 1.7.2 | CCOC(=O)c1c2c(sc1NC(=O)Cc3cccs3)CN(CC2)C(=O)OCC |