4VZ
Summary
| Name: | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)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 |
| OpenEye OEToolkits | 2.0.7 | (5~{Z})-5-[(3-ethoxy-4-oxidanyl-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H11NO3S2/c1-2-16-9-5-7(3-4-8(9)14)6-10-11(15)13-12(17)18-10/h3-6,14H,2H2,1H3,(H,13,15,17)/b10-6- |
| InChIKey | InChI | 1.03 | BLHXTUCOFJOMCR-POHAHGRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1cc(ccc1O)\C=C2/SC(=S)NC2=O |
| SMILES | CACTVS | 3.385 | CCOc1cc(ccc1O)C=C2SC(=S)NC2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1O)/C=C\2/C(=O)NC(=S)S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1cc(ccc1O)C=C2C(=O)NC(=S)S2 |
