Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(O)C(OC)Cc4ccc(OCCc1nc(oc1C)c2ccccc2)c3c4scc3 |
SMILES_CANONICAL | CACTVS | 3.341 | CO[C@@H](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)c4ccsc14)C(O)=O |
SMILES | CACTVS | 3.341 | CO[CH](Cc1ccc(OCCc2nc(oc2C)c3ccccc3)c4ccsc14)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)C[C@@H](C(=O)O)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(nc(o1)c2ccccc2)CCOc3ccc(c4c3ccs4)CC(C(=O)O)OC |
InChI | InChI | 1.03 | InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1 |
InChIKey | InChI | 1.03 | DAYKLWSKQJBGCS-NRFANRHFSA-N |