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2,3-Dihydro-thiophene-2-carboxylic acid 2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-9-thia-1,3,7-triaza-fluoren-2-yl)-phenyl ester

View entire compound with spectra: 1 MS (GC)

2,3-Dihydro-thiophene-2-carboxylic acid 2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-9-thia-1,3,7-triaza-fluoren-2-yl)-phenyl ester
SpectraBase Compound ID G1WLi3pcSFs
InChI InChI=1S/C23H25N3O4S2/c1-3-29-16-11-13(6-7-15(16)30-23(28)17-5-4-10-31-17)20-24-21(27)19-14-8-9-26(2)12-18(14)32-22(19)25-20/h4,6-7,10-11,17,20,25H,3,5,8-9,12H2,1-2H3,(H,24,27)
InChIKey OTMGOAKQHYISCF-UHFFFAOYSA-N
Mol Weight 471.59 g/mol
Molecular Formula C23H25N3O4S2
Exact Mass 471.128649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3P0rsj5KkyW
Name 2,3-Dihydro-thiophene-2-carboxylic acid 2-ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydro-9-thia-1,3,7-triaza-fluoren-2-yl)-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25N3O4S2
InChI InChI=1S/C23H25N3O4S2/c1-3-29-16-11-13(6-7-15(16)30-23(28)17-5-4-10-31-17)20-24-21(27)19-14-8-9-26(2)12-18(14)32-22(19)25-20/h4,6-7,10-11,17,20,25H,3,5,8-9,12H2,1-2H3,(H,24,27)
InChIKey OTMGOAKQHYISCF-UHFFFAOYSA-N
Molecular Weight 471.590 g/mol
SMILES N1C(c2c3CCN(Cc3sc2NC1c1cc(c(cc1)OC(=O)C1SC=CC1)OCC)C)=O
SPLASH splash10-03xr-4910600000-69e5ff9fcaab1dec5290
Synonyms 2-Ethoxy-4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 2,3-dihydro-2-thiophenecarboxylate
Wiley ID 1454904