VC2
Summary
| Name: | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
| Formula: | C9 H15 N O2 S3 |
| Formal charge: | 0 |
| Formula weight: | 265.416 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (3S,5S,7aR)-2,2-dimethyl-5-(sulfanylmethyl)-3,5,7,7a-tetrahydro-[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1N2C(SCC2SC1(C)C)CS |
| InChI | InChI | 1.03 | InChI=1S/C9H15NO2S3/c1-9(2)7(8(11)12)10-5(3-13)14-4-6(10)15-9/h5-7,13H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7-/m0/s1 |
| InChIKey | InChI | 1.03 | IKSIYRPSHTUWIX-XVMARJQXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)S[C@@H]2CS[C@@H](CS)N2[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CC1(C)S[CH]2CS[CH](CS)N2[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1([C@@H](N2[C@H](S1)CS[C@H]2CS)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1(C(N2C(S1)CSC2CS)C(=O)O)C |
