Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(c2cc1c(nc(NC(=O)OC)n1)cc2)c3sccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3 |
SMILES | CACTVS | 3.341 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3sccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3cccs3 |
InChI | InChI | 1.03 | InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) |
InChIKey | InChI | 1.03 | KYRVNWMVYQXFEU-UHFFFAOYSA-N |