7QY
Summary
| Name: | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione |
| Formula: | C12 H13 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 267.301 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5R)-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione |
| OpenEye OEToolkits | 2.0.6 | (5~{R})-5-[(2,4-dimethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1cc(cc(c1CC2C(NC(S2)=O)=O)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO4S/c1-16-8-4-3-7(9(6-8)17-2)5-10-11(14)13-12(15)18-10/h3-4,6,10H,5H2,1-2H3,(H,13,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | KGQRHOMYUSKNBZ-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(C[C@H]2SC(=O)NC2=O)c(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc(C[CH]2SC(=O)NC2=O)c(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)OC)C[C@@H]2C(=O)NC(=O)S2 |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(c(c1)OC)CC2C(=O)NC(=O)S2 |
