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1-oxo-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}-1H-2-benzopyran-3-carboxamide
SpectraBase Compound ID FbMnFEIhuE
InChI InChI=1S/C19H13N3O5S2/c23-17(16-11-12-3-1-2-4-15(12)18(24)27-16)21-13-5-7-14(8-6-13)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,23)
InChIKey LLAYOHLUUVFDHG-UHFFFAOYSA-N
Mol Weight 427.45 g/mol
Molecular Formula C19H13N3O5S2
Exact Mass 427.029663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 55nGfp3hts6
Name 1-oxo-N-{4-[(1,3-Thiazol-2-ylamino)sulfonyl]phenyl}-1H-2-benzopyran-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 427.029662874 u
Formula C19H13N3O5S2
InChI InChI=1S/C19H13N3O5S2/c23-17(16-11-12-3-1-2-4-15(12)18(24)27-16)21-13-5-7-14(8-6-13)29(25,26)22-19-20-9-10-28-19/h1-11H,(H,20,22)(H,21,23)
InChIKey LLAYOHLUUVFDHG-UHFFFAOYSA-N
Molecular Weight 427.449 g/mol
SMILES N(C(C=1OC(=O)C=2C(C1)=CC=CC2)=O)C=1C=CC(S(NC2=NC=CS2)(=O)=O)=CC1