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2,4-thiazolidinedione, 3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-5-(2-thienylmethylene)-, (5E)-
SpectraBase Compound ID HYGyvsizZ75
InChI InChI=1S/C21H21N3O4S2/c1-28-16-6-4-15(5-7-16)22-8-10-23(11-9-22)19(25)14-24-20(26)18(30-21(24)27)13-17-3-2-12-29-17/h2-7,12-13H,8-11,14H2,1H3/b18-13+
InChIKey UTAOZEHSHRMUHO-QGOAFFKASA-N
Mol Weight 443.54 g/mol
Molecular Formula C21H21N3O4S2
Exact Mass 443.097349 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HonbecASQvm
Name 2,4-Thiazolidinedione, 3-[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-5-(2-thienylmethylene)-, (5E)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 443.097348512 u
Formula C21H21N3O4S2
InChI InChI=1S/C21H21N3O4S2/c1-28-16-6-4-15(5-7-16)22-8-10-23(11-9-22)19(25)14-24-20(26)18(30-21(24)27)13-17-3-2-12-29-17/h2-7,12-13H,8-11,14H2,1H3/b18-13+
InChIKey UTAOZEHSHRMUHO-QGOAFFKASA-N
Molecular Weight 443.536 g/mol
SMILES COC=1C=CC(N2CCN(C(CN3C(S\C(C3=O)=C/C=3SC=CC3)=O)=O)CC2)=CC1