FS6
Summary
| Name: | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
| Formula: | C15 H21 N3 O S |
| Formal charge: | 0 |
| Formula weight: | 291.412 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H21N3OS/c1-5-11-14(10(3)19)9(2)17-15(11)12-8-20-13(18-12)6-7-16-4/h8,16-17H,5-7H2,1-4H3 |
| InChIKey | InChI | 1.06 | UTWAWNDFTMJUGN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2 |
| SMILES | CACTVS | 3.385 | CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C |
