A1CO2
Summary
| Name: | (2S)-2-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one |
| Formula: | C10 H8 F3 N O S |
| Formal charge: | 0 |
| Formula weight: | 247.237 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (2S)-2-methyl-6-(trifluoromethyl)-2H-1,4-benzothiazin-3(4H)-one |
| OpenEye OEToolkits | 3.1.0.0 | (2~{S})-2-methyl-6-(trifluoromethyl)-4~{H}-1,4-benzothiazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | FC(F)(F)c1ccc2SC(C)C(=O)Nc2c1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8F3NOS/c1-5-9(15)14-7-4-6(10(11,12)13)2-3-8(7)16-5/h2-5H,1H3,(H,14,15)/t5-/m0/s1 |
| InChIKey | InChI | 1.06 | FXZXGJIGRSODSM-YFKPBYRVSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1Sc2ccc(cc2NC1=O)C(F)(F)F |
| SMILES | CACTVS | 3.385 | C[CH]1Sc2ccc(cc2NC1=O)C(F)(F)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C[C@H]1C(=O)Nc2cc(ccc2S1)C(F)(F)F |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC1C(=O)Nc2cc(ccc2S1)C(F)(F)F |
