EOK
Summary
| Name: | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide |
| Formula: | C13 H15 N3 O2 S |
| Formal charge: | 0 |
| Formula weight: | 277.342 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (~{N}~{Z})-~{N}-[(5~{S})-4-ethanoyl-5-methyl-5-phenyl-1,3,4-thiadiazolidin-2-ylidene]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | 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 | InChI | 1.03 | JEFVYQYZCAVNTP-ZDUSSCGKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N=C1NN(C(C)=O)[C@@](C)(S1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N=C1NN(C(C)=O)[C](C)(S1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(=O)/N=C\1/NN([C@](S1)(C)c2ccccc2)C(=O)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CC(=O)N=C1NN(C(S1)(C)c2ccccc2)C(=O)C |
