Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CCOC(=O)c1ccsc1NC(=O)C=1CCCC=1C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C14H15NO5S/c1-2-20-14(19)10-6-7-21-12(10)15-11(16)8-4-3-5-9(8)13(17)18/h6-7H,2-5H2,1H3,(H,15,16)(H,17,18) |
InChIKey | InChI | 1.06 | RJIGDIKBHOJJOS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O |
SMILES | CACTVS | 3.385 | CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)c1ccsc1NC(=O)C2=C(CCC2)C(=O)O |