Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-2-([(dimethylamino)carbonyl]amino)-3,3,3-trifluoropropanoate

SpectraBase Compound ID	EDy54OsaHm8
InChI	InChI=1S/C17H23F3N4O4S/c1-4-28-14(26)16(17(18,19)20,23-15(27)24(2)3)22-13-11(12(21)25)9-7-5-6-8-10(9)29-13/h22H,4-8H2,1-3H3,(H2,21,25)(H,23,27)
InChIKey	RKBPRFMTLYZJPT-UHFFFAOYSA-N Google Search
Mol Weight	436.45 g/mol
Molecular Formula	C17H23F3N4O4S
Exact Mass	436.139211 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	4ZgeRfWWujn
Name	Ethyl 2-([3-(aminocarbonyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino)-2-([(dimethylamino)carbonyl]amino)-3,3,3-trifluoropropanoate
Alternate Name(s)	2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-[[dimethylamino(oxo)methyl]amino]-3,3,3-trifluoropropanoic acid ethyl ester 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoro-propionic acid ethyl ester Ethyl 2-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-tris(fluoranyl)propanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoropropanoate Ethyl 2-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-2-(dimethylcarbamoylamino)-3,3,3-trifluoro-propanoate Propanoic acid, 3,3,3-trifluoro-2-(3,3-dimethylureido)-2-(4,5,6,7-tetrahydro-3-aminocarbonyl-2-benzothienylamino)-, ethyl ester
CAS Registry Number	309730-83-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H23F3N4O4S
InChI	InChI=1S/C17H23F3N4O4S/c1-4-28-14(26)16(17(18,19)20,23-15(27)24(2)3)22-13-11(12(21)25)9-7-5-6-8-10(9)29-13/h22H,4-8H2,1-3H3,(H2,21,25)(H,23,27)
InChIKey	RKBPRFMTLYZJPT-UHFFFAOYSA-N
Molecular Weight	436.450 g/mol
SMILES	N(C(Nc1c(C(=O)N)c2CCCCc2s1)(C(F)(F)F)C(=O)OCC)C(N(C)C)=O
SPLASH	splash10-00fr-8970000000-b7ba3e72c60dc657c367
Source of Spectrum	AD-0-2532-0
Wiley ID	1429800