1-Benzothiophene-3-carboxylic acid, 2-[[[2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester

SpectraBase Compound ID	DfHQXDqA3iu
InChI	InChI=1S/C27H27FN2O5S2/c1-2-35-27(32)24-21-9-5-6-10-23(21)36-26(24)29-25(31)22-15-17-7-3-4-8-18(17)16-30(22)37(33,34)20-13-11-19(28)12-14-20/h3-4,7-8,11-14,22H,2,5-6,9-10,15-16H2,1H3,(H,29,31)
InChIKey	OFSZOBQFQWGLIV-UHFFFAOYSA-N Google Search
Mol Weight	542.64 g/mol
Molecular Formula	C27H27FN2O5S2
Exact Mass	542.134542 g/mol

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SpectraBase Spectrum ID	4UOyQROjuC
Name	1-Benzothiophene-3-carboxylic acid, 2-[[[2-[(4-fluorophenyl)sulfonyl]-1,2,3,4-tetrahydro-3-isoquinolinyl]carbonyl]amino]-4,5,6,7-tetrahydro-, ethyl ester
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C27H27FN2O5S2
InChI	InChI=1S/C27H27FN2O5S2/c1-2-35-27(32)24-21-9-5-6-10-23(21)36-26(24)29-25(31)22-15-17-7-3-4-8-18(17)16-30(22)37(33,34)20-13-11-19(28)12-14-20/h3-4,7-8,11-14,22H,2,5-6,9-10,15-16H2,1H3,(H,29,31)
InChIKey	OFSZOBQFQWGLIV-UHFFFAOYSA-N
Molecular Weight	542.640 g/mol
SMILES	N(C(C1Cc2ccccc2CN1S(c1ccc(F)cc1)(=O)=O)=O)c1sc2c(c1C(=O)OCC)CCCC2
SPLASH	splash10-003u-2952000000-7ce67438770f47bdc084
Source of Spectrum	IY-1-4507-6
Synonyms	2-[[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Wiley ID	1653059