I8N
Summary
| Name: | 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
| Formula: | C19 H21 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 343.44 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-methyl-2-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C19H21NO3S/c1-12-5-7-14-17(9-12)24-18(20-14)8-6-13-10-15(21-2)19(23-4)16(11-13)22-3/h5,7,9-11H,6,8H2,1-4H3 |
| InChIKey | InChI | 1.06 | BIJJBJQMSGHUPX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CCc2sc3cc(C)ccc3n2)cc(OC)c1OC |
| SMILES | CACTVS | 3.385 | COc1cc(CCc2sc3cc(C)ccc3n2)cc(OC)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc2c(c1)sc(n2)CCc3cc(c(c(c3)OC)OC)OC |
