| PDB CCD ID: | YN6 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C12 H12 N4 O3 S |
| InChI: | 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: | QZQZTDCEGPSUMN-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | NC(=O)[CH]1CCN1C(=O)COc2cccc3nsnc23 | | CACTVS 3.385 | NC(=O)[C@@H]1CCN1C(=O)COc2cccc3nsnc23 | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)OCC(=O)N3CCC3C(=O)N)nsn2 | | ACDLabs 12.01 | NC(=O)C1CCN1C(=O)COc1cccc2nsnc12 | | OpenEye OEToolkits 2.0.7 | c1cc2c(c(c1)OCC(=O)N3CC[C@H]3C(=O)N)nsn2 |
|
| Name: | (2R)-1-{[(2,1,3-benzothiadiazol-4-yl)oxy]acetyl}azetidine-2-carboxamide |
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