SpectraBase Compound ID | 2ELofR9cdDn |
---|---|
InChI | InChI=1S/C18H11NO4S/c20-13-9-15(23-14-7-3-1-5-11(13)14)18(21)22-10-17-19-12-6-2-4-8-16(12)24-17/h1-9H,10H2 |
InChIKey | CKWVFTGJXMCKHJ-UHFFFAOYSA-N |
Mol Weight | 337.35 g/mol |
Molecular Formula | C18H11NO4S |
Exact Mass | 337.040879 g/mol |
SpectraBase Spectrum ID | Zzn99qXSTR |
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Name | Benzo[D]thiazol-2-ylmethyl 4-oxo-4H-chromene-2-carboxylate |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 337.040879008 u |
Formula | C18H11NO4S |
InChI | InChI=1S/C18H11NO4S/c20-13-9-15(23-14-7-3-1-5-11(13)14)18(21)22-10-17-19-12-6-2-4-8-16(12)24-17/h1-9H,10H2 |
InChIKey | CKWVFTGJXMCKHJ-UHFFFAOYSA-N |
Molecular Weight | 337.349 g/mol |
SMILES | C1(=O)C2=C(OC(=C1)C(OCC1=NC3=CC=CC=C3S1)=O)C=CC=C2 |