A1CXE
Summary
| Name: | (1R)-3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolidine-1,4-dione |
| Formula: | C9 H7 Cl2 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 264.128 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (1R)-3-(3,4-dichlorophenyl)-1lambda~4~,3-thiazolidine-1,4-dione |
| OpenEye OEToolkits | 3.1.0.0 | (1~{R})-3-(3,4-dichlorophenyl)-1-oxidanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S1CC(=O)N(C1)c1cc(Cl)c(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C9H7Cl2NO2S/c10-7-2-1-6(3-8(7)11)12-5-15(14)4-9(12)13/h1-3H,4-5H2/t15-/m1/s1 |
| InChIKey | InChI | 1.06 | DEPGXMLIHZXPHL-OAHLLOKOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc(cc1Cl)N2C[S@](=O)CC2=O |
| SMILES | CACTVS | 3.385 | Clc1ccc(cc1Cl)N2C[S](=O)CC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1N2C[S@](=O)CC2=O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1N2CS(=O)CC2=O)Cl)Cl |
