4YK
Summary
| Name: | 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one |
| Formula: | C16 H11 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 281.329 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one |
| OpenEye OEToolkits | 1.9.2 | 3-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COc4cc3NC(=O)c2sc1ccccc1c2c3cc4 |
| InChI | InChI | 1.03 | InChI=1S/C16H11NO2S/c1-19-9-6-7-10-12(8-9)17-16(18)15-14(10)11-4-2-3-5-13(11)20-15/h2-8H,1H3,(H,17,18) |
| InChIKey | InChI | 1.03 | GPCQYADOLCARPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc2c(NC(=O)c3sc4ccccc4c23)c1 |
| SMILES | CACTVS | 3.385 | COc1ccc2c(NC(=O)c3sc4ccccc4c23)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 |
| SMILES | OpenEye OEToolkits | 1.9.2 | COc1ccc-2c(c1)NC(=O)c3c2c4ccccc4s3 |
