YN6
Summary
| Name: | (2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide |
| Formula: | C12 H12 N4 O3 S |
| Formal charge: | 0 |
| Formula weight: | 292.314 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-1-[2-(2,1,3-benzothiadiazol-4-yloxy)ethanoyl]azetidine-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | NC(=O)C1CCN1C(=O)COc1cccc2nsnc12 |
| InChI | InChI | 1.06 | InChI=1S/C12H12N4O3S/c13-12(18)8-4-5-16(8)10(17)6-19-9-3-1-2-7-11(9)15-20-14-7/h1-3,8H,4-6H2,(H2,13,18) |
| InChIKey | InChI | 1.06 | QZQZTDCEGPSUMN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=O)[C@@H]1CCN1C(=O)COc2cccc3nsnc23 |
| SMILES | CACTVS | 3.385 | NC(=O)[CH]1CCN1C(=O)COc2cccc3nsnc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OCC(=O)N3CC[C@H]3C(=O)N)nsn2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(c(c1)OCC(=O)N3CCC3C(=O)N)nsn2 |
