ICD
Summary
| Name: | 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide |
| Synonyms: | Isoxicam |
| Formula: | C14 H13 N3 O5 S |
| Formal charge: | 0 |
| Formula weight: | 335.335 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide |
| OpenEye OEToolkits | 1.7.6 | (2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxidanyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C2=C(O)c1c(cccc1)S(=O)(=O)N2C)Nc3noc(c3)C |
| InChI | InChI | 1.03 | InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19) |
| InChIKey | InChI | 1.03 | YYUAYBYLJSNDCX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3cc(C)on3 |
| SMILES | CACTVS | 3.370 | CN1C(=C(O)c2ccccc2[S]1(=O)=O)C(=O)Nc3cc(C)on3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)[N@]2C)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(no1)NC(=O)C2=C(c3ccccc3S(=O)(=O)N2C)O |
