Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H14N2O3S/c23-18-10-15(7-8-16(18)19(24)25)21-20-22-17(11-26-20)14-6-5-12-3-1-2-4-13(12)9-14/h1-11,23H,(H,21,22)(H,24,25) |
InChIKey | InChI | 1.03 | HUECFCSRZKSRJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O |
SMILES | CACTVS | 3.385 | OC(=O)c1ccc(Nc2scc(n2)c3ccc4ccccc4c3)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)c3csc(n3)Nc4ccc(c(c4)O)C(=O)O |