VJN
Summary
| Name: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
| Formula: | C14 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 259.324 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16) |
| InChIKey | InChI | 1.03 | RRNITWOICYYQGQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1 |
| SMILES | CACTVS | 3.385 | CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)Oc1ccc2c(c1)-c3ccsc3NC2=O |
