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

*Links on SpectraBase are not permalinks.
Ethyl-2-(5-benzylidene-2-imino-4-oxothiazolidin-3-yl)-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
SpectraBase Compound ID KHACPkxaMbD
InChI InChI=1S/C25H21N3O4S2/c1-3-32-24(31)19-15(2)20(21(29)27-17-12-8-5-9-13-17)34-23(19)28-22(30)18(33-25(28)26)14-16-10-6-4-7-11-16/h4-14,26H,3H2,1-2H3,(H,27,29)
InChIKey JVSIPFIULJJNCV-UHFFFAOYSA-N
Mol Weight 491.58 g/mol
Molecular Formula C25H21N3O4S2
Exact Mass 491.097349 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 7C4EXrM49fQ
Name Ethyl-2-(5-benzylidene-2-imino-4-oxothiazolidin-3-yl)-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21N3O4S2
InChI InChI=1S/C25H21N3O4S2/c1-3-32-24(31)19-15(2)20(21(29)27-17-12-8-5-9-13-17)34-23(19)28-22(30)18(33-25(28)26)14-16-10-6-4-7-11-16/h4-14,26H,3H2,1-2H3,(H,27,29)
InChIKey JVSIPFIULJJNCV-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2622
Molecular Weight 491.580 g/mol
SMILES N(C(c1c(c(c(N2C(SC(C2=O)=Cc2ccccc2)=N)s1)C(OCC)=O)C)=O)c1ccccc1
SPLASH splash10-0w29-1043900000-79b53105e437e698519c
Source of Spectrum Y-54-SM9-25
Wiley ID 1880711