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methyl [4-bromo-2-((E)-{(2Z)-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
SpectraBase Compound ID 7PEYQ358y8h
InChI InChI=1S/C30H26BrN3O5S/c1-37-23-10-8-22(9-11-23)33-30-34(14-13-19-17-32-25-6-4-3-5-24(19)25)29(36)27(40-30)16-20-15-21(31)7-12-26(20)39-18-28(35)38-2/h3-12,15-17,32H,13-14,18H2,1-2H3/b27-16+,33-30-
InChIKey BFHJXUMEBPYBFR-MACIWIFSSA-N
Mol Weight 620.52 g/mol
Molecular Formula C30H26BrN3O5S
Exact Mass 619.077655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 99Lmpt7sbpw
Name methyl [4-bromo-2-((E)-{(2Z)-3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H26BrN3O5S/c1-37-23-10-8-22(9-11-23)33-30-34(14-13-19-17-32-25-6-4-3-5-24(19)25)29(36)27(40-30)16-20-15-21(31)7-12-26(20)39-18-28(35)38-2/h3-12,15-17,32H,13-14,18H2,1-2H3/b27-16+,33-30-
InChIKey BFHJXUMEBPYBFR-MACIWIFSSA-N
NMR Offset 17.5285
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_13839
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1010537; UBI_ID: UBI-013842
Synonyms methyl [4-bromo-2-({3-[2-(1H-indol-3-yl)ethyl]-2-[(4-methoxyphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)phenoxy]acetate
Temperature 300 °C