| SpectraBase Compound ID | JXdbMO24ZMs |
|---|---|
| InChI | InChI=1S/C14H13NO4S3/c1-19-13(17)9(15-12(16)10-4-2-6-20-10)8-22-14(18)11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,15,16) |
| InChIKey | ZATVPOXNRQMBGP-UHFFFAOYSA-N |
| Mol Weight | 355.44 g/mol |
| Molecular Formula | C14H13NO4S3 |
| Exact Mass | 355.000671 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8oQ64PdzynS |
|---|---|
| Name | L-Cysteine, N,S-bis(2-thienylcarbonyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 355.000671421 u |
| Formula | C14H13NO4S3 |
| InChI | InChI=1S/C14H13NO4S3/c1-19-13(17)9(15-12(16)10-4-2-6-20-10)8-22-14(18)11-5-3-7-21-11/h2-7,9H,8H2,1H3,(H,15,16) |
| InChIKey | ZATVPOXNRQMBGP-UHFFFAOYSA-N |
| Molecular Weight | 355.441 g/mol |
| SMILES | C=1SC(C(=O)NC(CSC(C=2SC=CC2)=O)C(OC)=O)=CC1 |