Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1cccc(Cl)c1c2noc(c2COc5ccc3c(sc(c3)c4cccc(C(=O)O)c4)c5)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)c1onc(c1COc2ccc3cc(sc3c2)c4cccc(c4)C(O)=O)c5c(Cl)cccc5Cl |
SMILES | CACTVS | 3.341 | CC(C)c1onc(c1COc2ccc3cc(sc3c2)c4cccc(c4)C(O)=O)c5c(Cl)cccc5Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)c1c(c(no1)c2c(cccc2Cl)Cl)COc3ccc4cc(sc4c3)c5cccc(c5)C(=O)O |
InChI | InChI | 1.03 | InChI=1S/C28H21Cl2NO4S/c1-15(2)27-20(26(31-35-27)25-21(29)7-4-8-22(25)30)14-34-19-10-9-17-12-23(36-24(17)13-19)16-5-3-6-18(11-16)28(32)33/h3-13,15H,14H2,1-2H3,(H,32,33) |
InChIKey | InChI | 1.03 | WPHVYHBQJIXGIJ-UHFFFAOYSA-N |