A1B45
Summary
| Name: | 1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}azetidine-3-carboxamide |
| Formula: | C11 H14 N2 O2 S2 |
| Formal charge: | 0 |
| Formula weight: | 270.371 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-{[4-(methylsulfanyl)thiophen-3-yl]acetyl}azetidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | 1-[2-(4-methylsulfanylthiophen-3-yl)ethanoyl]azetidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | CSc1cscc1CC(=O)N1CC(C1)C(N)=O |
| InChI | InChI | 1.06 | InChI=1S/C11H14N2O2S2/c1-16-9-6-17-5-7(9)2-10(14)13-3-8(4-13)11(12)15/h5-6,8H,2-4H2,1H3,(H2,12,15) |
| InChIKey | InChI | 1.06 | BRDCNNNQSVGRBN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CSc1cscc1CC(=O)N2CC(C2)C(N)=O |
| SMILES | CACTVS | 3.385 | CSc1cscc1CC(=O)N2CC(C2)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CSc1cscc1CC(=O)N2CC(C2)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CSc1cscc1CC(=O)N2CC(C2)C(=O)N |
