BIY
Summary
| Name: | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid |
| Formula: | C8 H11 N O4 S |
| Formal charge: | 0 |
| Formula weight: | 217.242 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid |
| OpenEye OEToolkits | 1.6.1 | (5S)-6,6-dimethyl-4,5-dihydro-1,4-thiazine-2,5-dicarboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1 |
| SMILES_CANONICAL | CACTVS | 3.352 | CC1(C)SC(=CN[C@H]1C(O)=O)C(O)=O |
| SMILES | CACTVS | 3.352 | CC1(C)SC(=CN[CH]1C(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.6.1 | CC1(C(NC=C(S1)C(=O)O)C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | VSZLPINYHQLOJH-YFKPBYRVSA-N |
