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Ethyl {5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetate

View entire compound with spectra: 2 NMR

Ethyl {5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetate
SpectraBase Compound ID 62USLbMXT0
InChI InChI=1S/C13H12ClN3O3S/c1-2-20-11(18)7-10-16-17-13(21-10)15-12(19)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKey BQGLQGIUBOBCHH-UHFFFAOYSA-N
Mol Weight 325.77 g/mol
Molecular Formula C13H12ClN3O3S
Exact Mass 325.02879 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc0977wplaY
Name Ethyl {5-[(2-chlorobenzoyl)amino]-1,3,4-thiadiazol-2-yl}acetate
Comments Computed using HOSE algorithm
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Exact Mass 325.028790129 u
Formula C13H12ClN3O3S
InChI InChI=1S/C13H12ClN3O3S/c1-2-20-11(18)7-10-16-17-13(21-10)15-12(19)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,17,19)
InChIKey BQGLQGIUBOBCHH-UHFFFAOYSA-N
Molecular Weight 325.770 g/mol
SMILES N(C(C1=C(Cl)C=CC=C1)=O)C=1SC(CC(=O)OCC)=NN1