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ethyl 4-(5-{(E)-[({5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetyl)hydrazono]methyl}-2-furyl)benzoate
SpectraBase Compound ID LWIHhGZVK7h
InChI InChI=1S/C26H23N5O5S/c1-3-35-25(34)18-10-8-17(9-11-18)21-13-12-19(36-21)15-27-29-22(32)14-23-30-31-26(37-23)28-24(33)20-7-5-4-6-16(20)2/h4-13,15H,3,14H2,1-2H3,(H,29,32)(H,28,31,33)/b27-15+
InChIKey LPJLDFOXTLZSBA-JFLMPSFJSA-N
Mol Weight 517.56 g/mol
Molecular Formula C26H23N5O5S
Exact Mass 517.14199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rhCR6XO1an
Name Ethyl 4-(5-{(E)-[({5-[(2-methylbenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetyl)hydrazono]methyl}-2-furyl)benzoate
Comments Computed using HOSE algorithm
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Exact Mass 517.141990030 u
Formula C26H23N5O5S
InChI InChI=1S/C26H23N5O5S/c1-3-35-25(34)18-10-8-17(9-11-18)21-13-12-19(36-21)15-27-29-22(32)14-23-30-31-26(37-23)28-24(33)20-7-5-4-6-16(20)2/h4-13,15H,3,14H2,1-2H3,(H,29,32)(H,28,31,33)/b27-15+
InChIKey LPJLDFOXTLZSBA-JFLMPSFJSA-N
Molecular Weight 517.560 g/mol
SMILES N(\N=C\C=1OC(C2=CC=C(C(=O)OCC)C=C2)=CC1)C(CC=1SC(=NN1)NC(C1=C(C)C=CC=C1)=O)=O