A1IYW
Summary
| Name: | (2~{Z},5~{Z})-2-(3-hydroxyphenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
| Formula: | C17 H14 N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 342.369 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{Z},5~{Z})-2-(3-hydroxyphenyl)imino-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-1,3-thiazolidin-4-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C17H14N2O4S/c1-23-14-6-5-10(7-13(14)21)8-15-16(22)19-17(24-15)18-11-3-2-4-12(20)9-11/h2-9,20-21H,1H3,(H,18,19,22)/b15-8- |
| InChIKey | InChI | 1.06 | RCLXDDAOPBWZNU-NVNXTCNLSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1O)\C=C\2SC(NC\2=O)=Nc3cccc(O)c3 |
| SMILES | CACTVS | 3.385 | COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3cccc(O)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)/C=C\2/C(=O)N/C(=N/c3cccc(c3)O)/S2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1O)C=C2C(=O)NC(=Nc3cccc(c3)O)S2 |
