QRQ
Summary
| Name: | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
| Formula: | C18 H19 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 329.413 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H19NO3S/c1-20-14-10-12(11-15(21-2)18(14)22-3)8-9-17-19-13-6-4-5-7-16(13)23-17/h4-7,10-11H,8-9H2,1-3H3 |
| InChIKey | InChI | 1.03 | FTRLQDNXNMGZPN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(CCc2sc3ccccc3n2)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1OC)OC)CCc2nc3ccccc3s2 |
