A1LYJ
Summary
| Name: | (5E)-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one |
| Formula: | C12 H12 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 264.3 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{E})-2-azanylidene-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H12N2O3S/c1-16-8-5-3-4-7(10(8)17-2)6-9-11(15)14-12(13)18-9/h3-6H,1-2H3,(H2,13,14,15)/b9-6+ |
| InChIKey | InChI | 1.06 | GUZXOEURHZVATE-RMKNXTFCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(/C=C2/SC(=N)NC2=O)c1OC |
| SMILES | CACTVS | 3.385 | COc1cccc(C=C2SC(=N)NC2=O)c1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C\1/NC(=O)/C(=C\c2cccc(c2OC)OC)/S1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1OC)C=C2C(=O)NC(=N)S2 |
