Ethyl (2,6-difluorobenzyl)(4-((dimethylamino)methyl)-3-((6-methoxypyridazin-3-yl)carbamoyl)-5-(4-nitrophenyl)thiophen-2-yl)carbamate

Ethyl (2,6-difluorobenzyl)(4-((dimethylamino)methyl)-3-((6-methoxypyridazin-3-yl)carbamoyl)-5-(4-nitrophenyl)thiophen-2-yl)carbamate

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Ethyl (2,6-difluorobenzyl)(4-((dimethylamino)methyl)-3-((6-methoxypyridazin-3-yl)carbamoyl)-5-(4-nitrophenyl)thiophen-2-yl)carbamate

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Ethyl (2,6-difluorobenzyl)(4-((dimethylamino)methyl)-3-((6-methoxypyridazin-3-yl)carbamoyl)-5-(4-nitrophenyl)thiophen-2-yl)carbamate

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Catalog Number	PR1589503945
CAS	1589503-94-5
Synonyms	Carbamic acid, N-[(2,6-difluorophenyl)methyl]-N-[4-[(dimethylamino)methyl]-3-[[(6-methoxy-3-pyridazinyl)amino]carbonyl]-5-(4-nitrophenyl)-2-thienyl]-, ethyl ester
IUPAC Name	2-[4-(4-aminophenyl)buta-1,3-dienyl]-6-methoxy-1,3-benzothiazol-5-ol;2-(bromomethyl)-6-methoxy-5-methyl-1,3-benzothiazole;2-[[ethoxy(methyl)phosphoryl]methyl]-6-methoxy-1,3-benzothiazol-5-ol;6-methoxy-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-benzothiazol-5-ol;3-(4-nitrophenyl)prop-2-en-1-ol
Molecular Weight	1431.4
Molecular Formula	C67H65BrN7O14PS4
InChI	InChI=1S/C18H14N2O4S.C18H16N2O2S.C12H16NO4PS.C10H10BrNOS.C9H9NO3/c1-24-16-11-17-14(10-15(16)21)19-18(25-17)5-3-2-4-12-6-8-13(9-7-12)20(22)23;1-22-16-11-17-14(10-15(16)21)20-18(23-17)5-3-2-4-12-6-8-13(19)9-7-12;1-4-17-18(3,15)7-12-13-8-5-9(14)10(16-2)6-11(8)19-12;1-6-3-7-9(4-8(6)13-2)14-10(5-11)12-7;11-7-1-2-8-3-5-9(6-4-8)10(12)13/h2-11,21H,1H3;2-11,21H,19H2,1H3;5-6,14H,4,7H2,1-3H3;3-4H,5H2,1-2H3;1-6,11H,7H2
InChI Key	XTJWLTYYOVZBPT-UHFFFAOYSA-N
Applications/Corresponding APIs	Relugolix
EC Number	854-564-5
Isomeric SMILES	CCOP(=O)(C)CC1=NC2=CC(=C(C=C2S1)OC)O.CC1=CC2=C(C=C1OC)SC(=N2)CBr.COC1=C(C=C2C(=C1)SC(=N2)C=CC=CC3=CC=C(C=C3)N)O.COC1=C(C=C2C(=C1)SC(=N2)C=CC=CC3=CC=C(C=C3)[N+](=O)[O-])O.C1=CC(=CC=C1C=CCO)[N+](=O)[O-]

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