HT5
Summary
| Name: | (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium |
| Formula: | C14 H25 N O2 S |
| Formal charge: | 0 |
| Formula weight: | 271.419 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (4S)-4-(decanoylamino)-5-hydroxy-3,4-dihydro-2H-thiophenium |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{S})-2-oxidanylidenethiolan-3-yl]decanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(NC1C(O)=[S+]CC1)CCCCCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C14H25NO2S/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1 |
| InChIKey | InChI | 1.03 | PZUMIWRJDZWNPN-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCCCCC(=O)N[C@H]1CCSC1=O |
| SMILES | CACTVS | 3.385 | CCCCCCCCCC(=O)N[CH]1CCSC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)N[C@H]1CCSC1=O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCCCCC(=O)NC1CCSC1=O |
