I8R
Summary
| Name: | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol |
| Formula: | C19 H21 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 375.439 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-methoxy-5-[2-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)ethyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21NO5S/c1-22-14-7-5-11(9-13(14)21)6-8-16-20-12-10-15(23-2)17(24-3)18(25-4)19(12)26-16/h5,7,9-10,21H,6,8H2,1-4H3 |
| InChIKey | InChI | 1.06 | AGSIMEHHCHGERU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CCc2sc3c(OC)c(OC)c(OC)cc3n2)cc1O |
| SMILES | CACTVS | 3.385 | COc1ccc(CCc2sc3c(OC)c(OC)c(OC)cc3n2)cc1O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)CCc2nc3cc(c(c(c3s2)OC)OC)OC |
