Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C1c4c(Oc2ccccc12)c(nc4c3sccc3)Cc5ccc(O)cc5 |
InChI | InChI | 1.03 | InChI=1S/C22H15NO3S/c24-14-9-7-13(8-10-14)12-16-22-19(20(23-16)18-6-3-11-27-18)21(25)15-4-1-2-5-17(15)26-22/h1-11,23-24H,12H2 |
InChIKey | InChI | 1.03 | GPIHPADNHDARBD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cc2[nH]c(c3sccc3)c4C(=O)c5ccccc5Oc24)cc1 |
SMILES | CACTVS | 3.385 | Oc1ccc(Cc2[nH]c(c3sccc3)c4C(=O)c5ccccc5Oc24)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2 |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)C(=O)c3c(c([nH]c3c4cccs4)Cc5ccc(cc5)O)O2 |