WD8
Summary
| Name: | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate |
| Formula: | C11 H15 N O3 S |
| Formal charge: | 0 |
| Formula weight: | 241.307 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl N-(propan-2-yl)-N-(thiophene-3-carbonyl)glycinate |
| OpenEye OEToolkits | 2.0.7 | methyl 2-[propan-2-yl(thiophen-3-ylcarbonyl)amino]ethanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(N(CC(=O)OC)C(C)C)c1ccsc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H15NO3S/c1-8(2)12(6-10(13)15-3)11(14)9-4-5-16-7-9/h4-5,7-8H,6H2,1-3H3 |
| InChIKey | InChI | 1.06 | AEHZWZVCFANNEB-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)CN(C(C)C)C(=O)c1cscc1 |
| SMILES | CACTVS | 3.385 | COC(=O)CN(C(C)C)C(=O)c1cscc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N(CC(=O)OC)C(=O)c1ccsc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N(CC(=O)OC)C(=O)c1ccsc1 |
