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3-thiazolidinebutanamide, N-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID 1dPU9gMwafq
InChI InChI=1S/C19H18N2O3S3/c1-24-14-8-6-13(7-9-14)20-17(22)5-2-10-21-18(23)16(27-19(21)25)12-15-4-3-11-26-15/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,22)/b16-12+
InChIKey GVMXTQUKKVIVKL-FOWTUZBSSA-N
Mol Weight 418.54 g/mol
Molecular Formula C19H18N2O3S3
Exact Mass 418.047956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5KusEsxgGH1
Name 3-Thiazolidinebutanamide, N-(4-methoxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.047955967 u
Formula C19H18N2O3S3
InChI InChI=1S/C19H18N2O3S3/c1-24-14-8-6-13(7-9-14)20-17(22)5-2-10-21-18(23)16(27-19(21)25)12-15-4-3-11-26-15/h3-4,6-9,11-12H,2,5,10H2,1H3,(H,20,22)/b16-12+
InChIKey GVMXTQUKKVIVKL-FOWTUZBSSA-N
Molecular Weight 418.544 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C1=CC=C(C=C1)OC