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

*Links on SpectraBase are not permalinks.
4-[[2-(5-keto-1-phenyl-2-thioxo-3-veratryl-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester
SpectraBase Compound ID B4B1rIfTQum
InChI InChI=1S/C28H27N3O6S/c1-35-23-14-9-18(15-24(23)36-2)17-30-22(26(33)31(28(30)38)21-7-5-4-6-8-21)16-25(32)29-20-12-10-19(11-13-20)27(34)37-3/h4-15,22H,16-17H2,1-3H3,(H,29,32)
InChIKey VSILVKUPMYUUNT-UHFFFAOYSA-N
Mol Weight 533.6 g/mol
Molecular Formula C28H27N3O6S
Exact Mass 533.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7tZzxFY83HZ
Name 4-[[2-(5-keto-1-phenyl-2-thioxo-3-veratryl-imidazolidin-4-yl)acetyl]amino]benzoic acid methyl ester
Alternate Name(s) 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid methyl ester Methyl 4-[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxidanylidene-1-phenyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Methyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Methyl 4-[[2-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-phenyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H27N3O6S
InChI InChI=1S/C28H27N3O6S/c1-35-23-14-9-18(15-24(23)36-2)17-30-22(26(33)31(28(30)38)21-7-5-4-6-8-21)16-25(32)29-20-12-10-19(11-13-20)27(34)37-3/h4-15,22H,16-17H2,1-3H3,(H,29,32)
InChIKey VSILVKUPMYUUNT-UHFFFAOYSA-N
Molecular Weight 533.599 g/mol
SMILES N(C(CC1N(C(N(C1=O)c1ccccc1)=S)Cc1cc(OC)c(cc1)OC)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-0udi-0900000000-8498bb7999e04c86c838
Wiley ID 1464888