For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2Z,5E)-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidin-4-one
SpectraBase Compound ID 9TJH2TZqoIy
InChI InChI=1S/C30H25N3O3S/c1-3-18-36-25-12-8-21(9-13-25)19-28-29(34)33(17-16-22-20-31-27-7-5-4-6-26(22)27)30(37-28)32-23-10-14-24(35-2)15-11-23/h1,4-15,19-20,31H,16-18H2,2H3/b28-19+,32-30-
InChIKey NDBLHEAHVXHPMW-URVOCPGOSA-N
Mol Weight 507.61 g/mol
Molecular Formula C30H25N3O3S
Exact Mass 507.161663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AmlbbZOdyYY
Name (2Z,5E)-3-[2-(1H-Indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-5-[4-(2-propynyloxy)benzylidene]-1,3-thiazolidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 507.161662848 u
Formula C30H25N3O3S
InChI InChI=1S/C30H25N3O3S/c1-3-18-36-25-12-8-21(9-13-25)19-28-29(34)33(17-16-22-20-31-27-7-5-4-6-26(22)27)30(37-28)32-23-10-14-24(35-2)15-11-23/h1,4-15,19-20,31H,16-18H2,2H3/b28-19+,32-30-
InChIKey NDBLHEAHVXHPMW-URVOCPGOSA-N
Molecular Weight 507.608 g/mol
SMILES N1C2=C(C(=C1)CCN1\C(S\C(C1=O)=C/C=1C=CC(=CC1)OCC#C)=N\C1=CC=C(C=C1)OC)C=CC=C2