9OE
Summary
| Name: | (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one |
| Formula: | C11 H10 N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 250.274 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H10N2O3S/c1-16-8-4-6(2-3-7(8)14)5-9-10(12)13-11(15)17-9/h2-5,14H,1H3,(H2,12,13,15)/b9-5- |
| InChIKey | InChI | 1.03 | QXUJSIBXSHADES-UITAMQMPSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1O)/C=C/2SC(=O)N=C/2N |
| SMILES | CACTVS | 3.385 | COc1cc(ccc1O)C=C2SC(=O)N=C2N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)/C=C\2/C(=NC(=O)S2)N |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(ccc1O)C=C2C(=NC(=O)S2)N |
