2ZU
Summary
| Name: | 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline |
| Formula: | C18 H14 N2 O S |
| Formal charge: | 0 |
| Formula weight: | 306.382 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-{[(2-methyl-1,3-benzothiazol-5-yl)oxy]methyl}quinoline |
| OpenEye OEToolkits | 1.7.6 | 2-methyl-5-(quinolin-2-ylmethoxy)-1,3-benzothiazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n3c4cc(OCc1nc2c(cc1)cccc2)ccc4sc3C |
| InChI | InChI | 1.03 | InChI=1S/C18H14N2OS/c1-12-19-17-10-15(8-9-18(17)22-12)21-11-14-7-6-13-4-2-3-5-16(13)20-14/h2-10H,11H2,1H3 |
| InChIKey | InChI | 1.03 | DZPJYJCYZZYODA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1 |
| SMILES | CACTVS | 3.385 | Cc1sc2ccc(OCc3ccc4ccccc4n3)cc2n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1nc2cc(ccc2s1)OCc3ccc4ccccc4n3 |
