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((5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid

View entire compound with spectra: 2 NMR

((5E)-5-{[1-(4-methoxyphenyl)-1H-pyrrol-2-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid
SpectraBase Compound ID 4kDbZmL7nBM
InChI InChI=1S/C17H14N2O4S2/c1-23-13-6-4-11(5-7-13)18-8-2-3-12(18)9-14-16(22)19(10-15(20)21)17(24)25-14/h2-9H,10H2,1H3,(H,20,21)/b14-9+
InChIKey ROIUPJOMFWLCRH-NTEUORMPSA-N
Mol Weight 374.43 g/mol
Molecular Formula C17H14N2O4S2
Exact Mass 374.039499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGnnzdkgCsZ
Name ((5E)-5-{[1-(4-Methoxyphenyl)-1H-pyrrol-2-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.039499283 u
Formula C17H14N2O4S2
InChI InChI=1S/C17H14N2O4S2/c1-23-13-6-4-11(5-7-13)18-8-2-3-12(18)9-14-16(22)19(10-15(20)21)17(24)25-14/h2-9H,10H2,1H3,(H,20,21)/b14-9+
InChIKey ROIUPJOMFWLCRH-NTEUORMPSA-N
Molecular Weight 374.429 g/mol
SMILES OC(CN1C(S\C(C1=O)=C/C=1N(C2=CC=C(C=C2)OC)C=CC1)=S)=O