Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(cc(c(c1OC)\C=C\S(Cc2ccc(c(c2)NCC(O)=O)OC)(=O)=O)OC)OC |
InChI | InChI | 1.03 | InChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+ |
InChIKey | InChI | 1.03 | OWBFCJROIKNMGD-BQYQJAHWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(OC)c(\C=C\[S](=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 |
SMILES | CACTVS | 3.385 | COc1cc(OC)c(C=C[S](=O)(=O)Cc2ccc(OC)c(NCC(O)=O)c2)c(OC)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1NCC(=O)O)CS(=O)(=O)/C=C/c2c(cc(cc2OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.4 | COc1ccc(cc1NCC(=O)O)CS(=O)(=O)C=Cc2c(cc(cc2OC)OC)OC |