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2-Ethylsulfanylethyl 4-(3-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate

View entire compound with spectra: 1 MS (GC)

2-Ethylsulfanylethyl 4-(3-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID 4YUJHgv9Gdz
InChI InChI=1S/C25H26FNO3S2/c1-3-31-11-9-30-25(29)22-15(2)27-19-13-17(21-8-5-10-32-21)14-20(28)24(19)23(22)16-6-4-7-18(26)12-16/h4-8,10,12,17,23,27H,3,9,11,13-14H2,1-2H3
InChIKey DBWZWWGEUUDLBT-UHFFFAOYSA-N
Mol Weight 471.61 g/mol
Molecular Formula C25H26FNO3S2
Exact Mass 471.133814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jlx24HT8ygO
Name 2-Ethylsulfanylethyl 4-(3-fluorophenyl)-2-methyl-5-oxidanylidene-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26FNO3S2
InChI InChI=1S/C25H26FNO3S2/c1-3-31-11-9-30-25(29)22-15(2)27-19-13-17(21-8-5-10-32-21)14-20(28)24(19)23(22)16-6-4-7-18(26)12-16/h4-8,10,12,17,23,27H,3,9,11,13-14H2,1-2H3
InChIKey DBWZWWGEUUDLBT-UHFFFAOYSA-N
Molecular Weight 471.605 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)c1sccc1)=O)c1cc(F)ccc1)C(=O)OCCSCC)C
SPLASH splash10-000i-9423100000-b77a94cc5de66ba37f9e
Synonyms 2-Ethylsulfanylethyl 4-(3-fluorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 2-Ethylsulfanylethyl 4-(3-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 4-(3-fluorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester 4-(3-fluorophenyl)-5-keto-2-methyl-7-(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
Wiley ID 1461441