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Methyl 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
SpectraBase Compound ID 8dVBrZgPBn
InChI InChI=1S/C26H17N3O5S2/c1-32-20(31)10-19(30)28-26-22-16(12-36-26)14-7-3-5-9-18(14)34-24(22)29-25-21-15(11-35-25)13-6-2-4-8-17(13)33-23(21)27/h2-9,11-12,27H,10H2,1H3,(H,28,30)/b27-23?,29-24+
InChIKey ZZCZHYAMWAUIPT-XFQSPANBSA-N
Mol Weight 515.56 g/mol
Molecular Formula C26H17N3O5S2
Exact Mass 515.060963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4I2lEiLiDI
Name Methyl 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
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Formula C26H17N3O5S2
InChI InChI=1S/C26H17N3O5S2/c1-32-20(31)10-19(30)28-26-22-16(12-36-26)14-7-3-5-9-18(14)34-24(22)29-25-21-15(11-35-25)13-6-2-4-8-17(13)33-23(21)27/h2-9,11-12,27H,10H2,1H3,(H,28,30)/b27-23?,29-24+
InChIKey ZZCZHYAMWAUIPT-XFQSPANBSA-N
Molecular Weight 515.558 g/mol
SMILES N=C1Oc2ccccc2-c2c1c(\N=C/1c3c(scc3-c3c(O1)cccc3)NC(CC(=O)OC)=O)sc2
SPLASH splash10-0k96-9300000000-2dd4118bfa533d4cbdde
Source of Spectrum Y-33-285-10
Synonyms Methyl 3-({(4E)-4-[(4-imino-4H-thieno[3,4-c]chromen-3-yl)imino]-4H-thieno[3,4-c]chromen-3-yl}amino)-3-oxopropanoate
Wiley ID 1401283