Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C28H28N2O5S/c1-30(2)26(33)4-3-15-29-16-17-34-22-10-12-23(13-11-22)35-27-24-14-9-21(32)18-25(24)36-28(27)19-5-7-20(31)8-6-19/h3-14,18,29,31-32H,15-17H2,1-2H3/b4-3- |
InChIKey | InChI | 1.03 | NDTWSGVXBKXSCE-ARJAWSKDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)C(=O)\C=C/CNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1 |
SMILES | CACTVS | 3.385 | CN(C)C(=O)C=CCNCCOc1ccc(Oc2c(sc3cc(O)ccc23)c4ccc(O)cc4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)/C=C\CNCCOc1ccc(cc1)Oc2c3ccc(cc3sc2c4ccc(cc4)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C(=O)C=CCNCCOc1ccc(cc1)Oc2c3ccc(cc3sc2c4ccc(cc4)O)O |