UL1
Summary
| Name: | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| Formula: | C12 H11 N O3 S2 |
| Formal charge: | 0 |
| Formula weight: | 281.351 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc2ccc([C@H]=C1C(=O)NC(=S)S1)cc2OC |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3S2/c1-15-8-4-3-7(5-9(8)16-2)6-10-11(14)13-12(17)18-10/h3-6H,1-2H3,(H,13,14,17)/b10-6- |
| InChIKey | InChI | 1.03 | XVAIHVYMCLRIOV-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1OC)\C=C\2SC(=S)NC\2=O |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1OC)C=C2SC(=S)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)/C=C\2/C(=O)NC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2 |
