T9O
Summary
| Name: | (5R)-2-butanimidoyl-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one |
| Formula: | C15 H25 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 283.43 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (5~{R})-2-butanimidoyl-5-[(2~{R})-2-ethylsulfanylpropyl]-3-oxidanyl-cyclohex-2-en-1-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C15H25NO2S/c1-4-6-12(16)15-13(17)8-11(9-14(15)18)7-10(3)19-5-2/h10-11,16-17H,4-9H2,1-3H3/b16-12+/t10-,11-/m1/s1 |
| InChIKey | InChI | 1.06 | HITMLPXCKXYULH-XLMABRIASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCC(=N)C1=C(O)C[C@@H](C[C@@H](C)SCC)CC1=O |
| SMILES | CACTVS | 3.385 | CCCC(=N)C1=C(O)C[CH](C[CH](C)SCC)CC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\CCC)/C1=C(C[C@H](CC1=O)C[C@@H](C)SCC)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(=N)C1=C(CC(CC1=O)CC(C)SCC)O |
