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3-({[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

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3-({[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SpectraBase Compound ID 1PJ0m6JD4Ih
InChI InChI=1S/C14H13N3O4S2/c18-11(9-6-3-4-7(21-6)10(9)13(19)20)15-14-17-16-12(23-14)8-2-1-5-22-8/h1-2,5-7,9-10H,3-4H2,(H,19,20)(H,15,17,18)/t6-,7+,9+,10+/m0/s1
InChIKey JYPQZYQUXBGJAJ-MVHNUAHISA-N
Mol Weight 351.4 g/mol
Molecular Formula C14H13N3O4S2
Exact Mass 351.034748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BUlG4R2skk1
Name 3-({[5-(2-thienyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 351.034748255 u
Formula C14H13N3O4S2
InChI InChI=1S/C14H13N3O4S2/c18-11(9-6-3-4-7(21-6)10(9)13(19)20)15-14-17-16-12(23-14)8-2-1-5-22-8/h1-2,5-7,9-10H,3-4H2,(H,19,20)(H,15,17,18)/t6-,7+,9+,10+/m0/s1
InChIKey JYPQZYQUXBGJAJ-MVHNUAHISA-N
Molecular Weight 351.395 g/mol
SMILES N(C=1SC(=NN1)C=1SC=CC1)C([C@]1([C@](C(=O)O)([C@@]2(O[C@]1(CC2)[H])[H])[H])[H])=O