7T6
Summary
| Name: | (2R)-2-[(1S)-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2H-1,3-thiazine-4-carboxylic acid |
| Formula: | C9 H11 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 245.252 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[(1~{S})-1-methoxy-2-oxidanyl-2-oxidanylidene-ethyl]-5-methylidene-2~{H}-1,3-thiazine-4-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C9H11NO5S/c1-4-3-16-7(6(15-2)9(13)14)10-5(4)8(11)12/h6-7H,1,3H2,2H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1 |
| InChIKey | InChI | 1.03 | DOPBSRLSQLUMSV-RNFRBKRXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | CO[CH]([CH]1SCC(=C)C(=N1)C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CO[C@H]([C@@H]1N=C(C(=C)CS1)C(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(C1N=C(C(=C)CS1)C(=O)O)C(=O)O |
