Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(OC)c2OC)CC3)CS |
SMILES_CANONICAL | CACTVS | 3.341 | COC1=CC=C2C(=CC1=O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS |
SMILES | CACTVS | 3.341 | COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)c(OC)c(OC)c23)NC(=O)CS |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3[C@H](CC2)NC(=O)CS)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc2c(c(c1OC)OC)C3=CC=C(C(=O)C=C3C(CC2)NC(=O)CS)OC |
InChI | InChI | 1.03 | InChI=1S/C22H25NO6S/c1-26-17-8-6-13-14(10-16(17)24)15(23-19(25)11-30)7-5-12-9-18(27-2)21(28-3)22(29-4)20(12)13/h6,8-10,15,30H,5,7,11H2,1-4H3,(H,23,25)/t15-/m0/s1 |
InChIKey | InChI | 1.03 | TYDIWMTWTXFWSY-HNNXBMFYSA-N |