TLM
Summary
| Name: | THIOLACTOMYCIN |
| Synonyms: | 4-HYDROXY-3,5-DIMETHYL-5-(2-METHYL-BUTA-1,3-DIENYL)-5H-THIOPHEN-2-ONE |
| Formula: | C11 H14 O2 S |
| Formal charge: | 0 |
| Formula weight: | 210.293 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dien-1-yl]thiophen-2(5H)-one |
| OpenEye OEToolkits | 1.5.0 | (5R)-4-hydroxy-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]thiophen-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1SC(/C=C(/C=C)C)(C(O)=C1C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(\C=C)=C/[C@@]1(C)SC(=O)C(=C1O)C |
| SMILES | CACTVS | 3.341 | CC(C=C)=C[C]1(C)SC(=O)C(=C1O)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC1=C([C@@](SC1=O)(C)\C=C(/C)\C=C)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC1=C(C(SC1=O)(C)C=C(C)C=C)O |
| InChI | InChI | 1.03 | InChI=1S/C11H14O2S/c1-5-7(2)6-11(4)9(12)8(3)10(13)14-11/h5-6,12H,1H2,2-4H3/b7-6+/t11-/m1/s1 |
| InChIKey | InChI | 1.03 | SYQNUQSGEWNWKV-XUIVZRPNSA-N |
