5HJ
Summary
| Name: | (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one |
| Formula: | C13 H15 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 249.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 1.9.2 | (2R)-3-cyclopropyl-2-(4-methoxyphenyl)-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(C1N(C(=O)CS1)C2CC2)ccc(cc3)OC |
| InChI | InChI | 1.03 | InChI=1S/C13H15NO2S/c1-16-11-6-2-9(3-7-11)13-14(10-4-5-10)12(15)8-17-13/h2-3,6-7,10,13H,4-5,8H2,1H3/t13-/m1/s1 |
| InChIKey | InChI | 1.03 | LFCBYPLPSCPFNK-CYBMUJFWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)[C@H]2SCC(=O)N2C3CC3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1)[CH]2SCC(=O)N2C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)[C@@H]2N(C(=O)CS2)C3CC3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc(cc1)C2N(C(=O)CS2)C3CC3 |
