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5-(Ethoxycarbonyl)-2-phenyl-7(phenylimino)-8-phenyl-1,3-diazeto[1',2'-a]thiazolo[4,5-d][1,3]diazaepine
SpectraBase Compound ID EHeOvwQmFpc
InChI InChI=1S/C28H21N5O2S/c1-2-35-26(34)22-18-23-24(30-25(36-23)19-12-6-3-7-13-19)31-28-32(21-16-10-5-11-17-21)27(33(22)28)29-20-14-8-4-9-15-20/h3-18H,2H2,1H3/b29-27+
InChIKey JJFNVLCXPJSLGE-ORIPQNMZSA-N
Mol Weight 491.57 g/mol
Molecular Formula C28H21N5O2S
Exact Mass 491.141596 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BilJRbR5VeP
Name 5-(Ethoxycarbonyl)-2-phenyl-7(phenylimino)-8-phenyl-1,3-diazeto[1',2'-a]thiazolo[4,5-d][1,3]diazaepine
Alternate Name(s) Ethyl (6E)-2,5-diphenyl-6-(phenylimino)-5,6-dihydro[1,3]diazeto[1,2-a][1,3]thiazolo[4,5-d][1,3]diazepine-8-carboxylate
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Formula C28H21N5O2S
InChI InChI=1S/C28H21N5O2S/c1-2-35-26(34)22-18-23-24(30-25(36-23)19-12-6-3-7-13-19)31-28-32(21-16-10-5-11-17-21)27(33(22)28)29-20-14-8-4-9-15-20/h3-18H,2H2,1H3/b29-27+
InChIKey JJFNVLCXPJSLGE-ORIPQNMZSA-N
Molecular Weight 491.569 g/mol
SMILES C1=2N(C(=Cc3sc(nc3N2)-c2ccccc2)C(=O)OCC)\C(N1c1ccccc1)=N\c1ccccc1
SPLASH splash10-0006-0900500000-e1014f8deacd439838fb
Source of Spectrum J-58-5269-11
Wiley ID 1397414