0SI
Summary
| Name: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
| Formula: | C18 H13 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 307.366 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20) |
| InChIKey | InChI | 1.03 | DQIYFADDZCXPMK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13 |
| SMILES | CACTVS | 3.385 | O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)COc2ccc3c(c2)-c4ccsc4NC3=O |
