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3-thiazolidinebutanamide, N-(4-hydroxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-

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3-thiazolidinebutanamide, N-(4-hydroxyphenyl)-4-oxo-5-(2-thienylmethylene)-2-thioxo-, (5E)-
SpectraBase Compound ID KZLLivbiiMr
InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11+
InChIKey PWJJIPLEGRVLQL-RVDMUPIBSA-N
Mol Weight 404.52 g/mol
Molecular Formula C18H16N2O3S3
Exact Mass 404.032306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IZuQMPzHNO1
Name 3-Thiazolidinebutanamide, N-(4-hydroxyphenyl)-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 404.032305902 u
Formula C18H16N2O3S3
InChI InChI=1S/C18H16N2O3S3/c21-13-7-5-12(6-8-13)19-16(22)4-1-9-20-17(23)15(26-18(20)24)11-14-3-2-10-25-14/h2-3,5-8,10-11,21H,1,4,9H2,(H,19,22)/b15-11+
InChIKey PWJJIPLEGRVLQL-RVDMUPIBSA-N
Molecular Weight 404.517 g/mol
SMILES N(C(CCCN1C(S\C(C1=O)=C/C=1SC=CC1)=S)=O)C1=CC=C(C=C1)O