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3-(2-{Cyano-[3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-5-thioxo-1,5-dihydro-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmet

View entire compound with spectra: 1 MS (GC)

3-(2-{Cyano-[3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-5-thioxo-1,5-dihydro-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmet
SpectraBase Compound ID LVSOQLqjtvC
InChI InChI=1S/C24H27N3O8S/c1-32-18(28)7-5-14-13(9-20(30)34-3)12-26-22(14)17(11-25)23-15(6-8-19(29)33-2)16(24(36)27-23)10-21(31)35-4/h12,17,26H,5-10H2,1-4H3
InChIKey SIZCMERAVWYCEL-UHFFFAOYSA-N
Mol Weight 517.55 g/mol
Molecular Formula C24H27N3O8S
Exact Mass 517.151886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMVqIaD02nd
Name 3-(2-{Cyano-[3-(2-methoxycarbonyl-ethyl)-4-methoxycarbonylmethyl-5-thioxo-1,5-dihydro-pyrrol-2-ylidene]-methyl}-4-methoxycarbonylmet
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27N3O8S
InChI InChI=1S/C24H27N3O8S/c1-32-18(28)7-5-14-13(9-20(30)34-3)12-26-22(14)17(11-25)23-15(6-8-19(29)33-2)16(24(36)27-23)10-21(31)35-4/h12,17,26H,5-10H2,1-4H3
InChIKey SIZCMERAVWYCEL-UHFFFAOYSA-N
Molecular Weight 517.553 g/mol
SMILES [nH]1cc(c(c1C(C1=NC(=S)C(=C1CCC(=O)OC)CC(=O)OC)C#N)CCC(=O)OC)CC(=O)OC
SPLASH splash10-00xr-3459330000-993b015c39e6fcb705ab
Synonyms Methyl 3-[5-{cyano[4-(2-methoxy-2-oxoethyl)-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-3-(2-methoxy-2-oxoethyl)-2-thioxo-2H-pyrrol-4-yl]propanoate
Wiley ID 1487158