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4-[5-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-benzoic acid isopropyl ester
SpectraBase Compound ID 2Df5NJXppX3
InChI InChI=1S/C22H24N2O4S/c1-5-23-22-24(6-2)20(25)19(29-22)13-17-11-12-18(28-17)15-7-9-16(10-8-15)21(26)27-14(3)4/h7-14H,5-6H2,1-4H3/b19-13+,23-22-
InChIKey LAGSSNVALJKICQ-NMSSZPRHSA-N
Mol Weight 412.5 g/mol
Molecular Formula C22H24N2O4S
Exact Mass 412.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JuR2jjbJJyS
Name 4-[5-(3-ethyl-2-ethylimino-4-oxo-thiazolidin-5-ylidenemethyl)-furan-2-yl]-benzoic acid isopropyl ester
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Formula C22H24N2O4S
InChI InChI=1S/C22H24N2O4S/c1-5-23-22-24(6-2)20(25)19(29-22)13-17-11-12-18(28-17)15-7-9-16(10-8-15)21(26)27-14(3)4/h7-14H,5-6H2,1-4H3/b19-13+,23-22-
InChIKey LAGSSNVALJKICQ-NMSSZPRHSA-N
Molecular Weight 412.504 g/mol
SMILES CC\N=C\1N(C(\C(=C/c2oc(-c3ccc(C(OC(C)C)=O)cc3)cc2)S1)=O)CC
SPLASH splash10-01pc-4690200000-f401bd3ce858c464e9b5
Synonyms isopropyl 4-[5-((E)-{(2Z)-3-ethyl-2-[(Z)-ethylimino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]benzoate Isopropyl 4-[5-({3-ethyl-2-[ethylimino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2-furyl]benzoate
Wiley ID 1465074