2PW
Summary
| Name: | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Formula: | C14 H15 N O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 293.404 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{E})-3-[(2~{R})-butan-2-yl]-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H15NO2S2/c1-3-9(2)15-13(17)12(19-14(15)18)8-10-4-6-11(16)7-5-10/h4-9,16H,3H2,1-2H3/b12-8+/t9-/m1/s1 |
| InChIKey | InChI | 1.03 | REONZIRLQDMCHL-YXYQAXARSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](C)N1C(=S)SC(=C/c2ccc(O)cc2)/C1=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)N1C(=S)SC(=Cc2ccc(O)cc2)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC[C@@H](C)N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCC(C)N1C(=O)C(=Cc2ccc(cc2)O)SC1=S |
