![Methyl 3-[(2-thienylacetyl)amino]-2-thiophenecarboxylate](/api/spectrum/Jg0KyRwNLMI/structure.png?h=300&w=458 "Methyl 3-[(2-thienylacetyl)amino]-2-thiophenecarboxylate")
| SpectraBase Compound ID | Jy57N9H4iwM |
|---|---|
| InChI | InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14) |
| InChIKey | CXOCENPNQSXLGZ-UHFFFAOYSA-N |
| Mol Weight | 281.34 g/mol |
| Molecular Formula | C12H11NO3S2 |
| Exact Mass | 281.018036 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jg0KyRwNLMI |
|---|---|
| Name | Methyl 3-[(2-thienylacetyl)amino]-2-thiophenecarboxylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.018035563 u |
| Formula | C12H11NO3S2 |
| InChI | InChI=1S/C12H11NO3S2/c1-16-12(15)11-9(4-6-18-11)13-10(14)7-8-3-2-5-17-8/h2-6H,7H2,1H3,(H,13,14) |
| InChIKey | CXOCENPNQSXLGZ-UHFFFAOYSA-N |
| SMILES | C(NC1=C(C(OC)=O)SC=C1)(CC1=CC=CS1)=O |