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5-(Ethoxycarbonyl)-7-[(4-fluorophenyl)imino]-8-(4-fluorophenyl)-1,3-diazeto[1',2'-a]thieno[3,2-d][1,3]diazaepine
SpectraBase Compound ID H0TQQKixF1u
InChI InChI=1S/C23H16F2N4O2S/c1-2-31-21(30)18-13-28-22(26-16-7-3-14(24)4-8-16)29(17-9-5-15(25)6-10-17)23(28)27-19-11-12-32-20(18)19/h3-13H,2H2,1H3/b26-22-
InChIKey BAHXOGITGWTXSU-ROMGYVFFSA-N
Mol Weight 450.46 g/mol
Molecular Formula C23H16F2N4O2S
Exact Mass 450.096203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHbe9TS70iP
Name 5-(Ethoxycarbonyl)-7-[(4-fluorophenyl)imino]-8-(4-fluorophenyl)-1,3-diazeto[1',2'-a]thieno[3,2-d][1,3]diazaepine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H16F2N4O2S
InChI InChI=1S/C23H16F2N4O2S/c1-2-31-21(30)18-13-28-22(26-16-7-3-14(24)4-8-16)29(17-9-5-15(25)6-10-17)23(28)27-19-11-12-32-20(18)19/h3-13H,2H2,1H3/b26-22-
InChIKey BAHXOGITGWTXSU-ROMGYVFFSA-N
Molecular Weight 450.464 g/mol
SMILES C1=2N(C=C(c3sccc3N2)C(=O)OCC)\C(N1c1ccc(cc1)F)=N\c1ccc(cc1)F
SPLASH splash10-0f6t-9022500000-4165d23fb648d08989c1
Source of Spectrum J-58-5269-15
Synonyms Ethyl (7Z)-8-(4-fluorophenyl)-7-[(4-fluorophenyl)imino]-7,8-dihydro[1,3]diazeto[1,2-a]thieno[3,2-d][1,3]diazepine-5-carboxylate
Wiley ID 1387636