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ETHYL-3-[N-[4-(4-IMINO-4H-THIENO-[3,2-C]-[1]-BENZOPYRAN-3-YL)-IMINO-4H-THIENO-[3,2-C]-[1]-BENZOPYRAN-3-YL]]-AMIDO-PROPANOATE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

ETHYL-3-[N-[4-(4-IMINO-4H-THIENO-[3,2-C]-[1]-BENZOPYRAN-3-YL)-IMINO-4H-THIENO-[3,2-C]-[1]-BENZOPYRAN-3-YL]]-AMIDO-PROPANOATE
SpectraBase Compound ID FdYZc2vW0Tx
InChI InChI=1S/C27H19N3O5S2/c1-2-33-21(32)11-20(31)29-27-23-17(13-37-27)15-8-4-6-10-19(15)35-25(23)30-26-22-16(12-36-26)14-7-3-5-9-18(14)34-24(22)28/h3-10,12-13,28H,2,11H2,1H3,(H,29,31)/b28-24?,30-25-
InChIKey YKBOVAZVGSKLLX-FYVWCUMXSA-N
Mol Weight 529.59 g/mol
Molecular Formula C27H19N3O5S2
Exact Mass 529.076613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IT8wCNd4a
Name Ethyl 3-{N-[4-(4'-Imino-4'H-thieno[3,4-c][1]benzopyran-3'-yl)imino-4H-thieno[3,4-c][1]benzopyran-3-yl]amidopropanoate
Alternate Name(s) Ethyl 3-({(4Z)-4-[(4-imino-4H-thieno[3,4-c]chromen-3-yl)imino]-4H-thieno[3,4-c]chromen-3-yl}amino)-3-oxopropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H19N3O5S2
InChI InChI=1S/C27H19N3O5S2/c1-2-33-21(32)11-20(31)29-27-23-17(13-37-27)15-8-4-6-10-19(15)35-25(23)30-26-22-16(12-36-26)14-7-3-5-9-18(14)34-24(22)28/h3-10,12-13,28H,2,11H2,1H3,(H,29,31)/b28-24?,30-25-
InChIKey YKBOVAZVGSKLLX-FYVWCUMXSA-N
Molecular Weight 529.585 g/mol
SMILES N=C1Oc2ccccc2-c2c1c(\N=C\1c3c(scc3-c3c(O1)cccc3)NC(CC(=O)OCC)=O)sc2
SPLASH splash10-00kb-9300000000-ed395b99b64e7b479da1
Source of Spectrum Y-33-284-10
Wiley ID 1403204