TGX
Summary
| Name: | 7-methyl-2H-1,4-benzothiazin-3(4H)-one |
| Formula: | C9 H9 N O S |
| Formal charge: | 0 |
| Formula weight: | 179.239 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-methyl-2H-1,4-benzothiazin-3(4H)-one |
| OpenEye OEToolkits | 1.7.6 | 7-methyl-4H-1,4-benzothiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1Nc2c(SC1)cc(cc2)C |
| InChI | InChI | 1.03 | InChI=1S/C9H9NOS/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | ODJQMWDFNLNCTM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc2NC(=O)CSc2c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc2NC(=O)CSc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)SCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc2c(c1)SCC(=O)N2 |
