| PDB CCD ID: | EOK |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C13 H15 N3 O2 S |
| InChI: | InChI=1S/C13H15N3O2S/c1-9(17)14-12-15-16(10(2)18)13(3,19-12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,15,17)/t13-/m0/s1 |
| InChIKey: | JEFVYQYZCAVNTP-ZDUSSCGKSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.6 | CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C | | OpenEye OEToolkits 2.0.6 | CC(=O)N=C1NN(C(S1)(C)c2ccccc2)C(=O)C | | CACTVS 3.385 | CC(=O)N=C1NN(C(C)=O)[C@@](C)(S1)c2ccccc2 | | CACTVS 3.385 | CC(=O)N=C1NN(C(C)=O)[C](C)(S1)c2ccccc2 |
|
| Name: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide |
| ChEMBL: | CHEMBL4283764 |
| ZINC: | ZINC000000054577 |
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