BXW
Summary
| Name: | 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid |
| Formula: | C9 H7 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 209.222 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid |
| OpenEye OEToolkits | 1.7.2 | 3-oxidanylidene-4H-1,4-benzothiazine-7-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccc1c(SCC(=O)N1)c2 |
| InChI | InChI | 1.03 | InChI=1S/C9H7NO3S/c11-8-4-14-7-3-5(9(12)13)1-2-6(7)10-8/h1-3H,4H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.03 | PMIQHWMFUZMWOX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2NC(=O)CSc2c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc2NC(=O)CSc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1C(=O)O)SCC(=O)N2 |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc2c(cc1C(=O)O)SCC(=O)N2 |
