Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C13H10N2O4S/c16-10(8-4-2-1-3-5-8)7-20-13-14-6-9(12(18)19)11(17)15-13/h1-6H,7H2,(H,18,19)(H,14,15,17) |
InChIKey | InChI | 1.03 | NAHGGWKCMVAKPT-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O |