1-[(2R,3R)-5-Amino-4-cyano-3-(4-methoxy-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(4-chloro-phenyl)-urea

SpectraBase Compound ID	3DiMtC0Oi9m
InChI	InChI=1S/C20H17ClN4O3S/c1-28-14-8-2-11(3-9-14)16-15(10-22)18(23)29-17(16)19(26)25-20(27)24-13-6-4-12(21)5-7-13/h2-9,16-17H,23H2,1H3,(H2,24,25,26,27)/t16-,17-/m1/s1
InChIKey	GEKNBSLZRBQYNC-IAGOWNOFSA-N Google Search
Mol Weight	428.89 g/mol
Molecular Formula	C20H17ClN4O3S
Exact Mass	428.070989 g/mol

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SpectraBase Spectrum ID	7ekISByaTer
Name	1-[(2R,3R)-5-Amino-4-cyano-3-(4-methoxy-phenyl)-2,3-dihydro-thiophene-2-carbonyl]-3-(4-chloro-phenyl)-urea
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C20H17ClN4O3S
InChI	InChI=1S/C20H17ClN4O3S/c1-28-14-8-2-11(3-9-14)16-15(10-22)18(23)29-17(16)19(26)25-20(27)24-13-6-4-12(21)5-7-13/h2-9,16-17H,23H2,1H3,(H2,24,25,26,27)/t16-,17-/m1/s1
InChIKey	GEKNBSLZRBQYNC-IAGOWNOFSA-N
Molecular Weight	428.894 g/mol
SMILES	N(C([C@]1([C@@](C(=C(S1)N)C#N)(c1ccc(cc1)OC)[H])[H])=O)C(Nc1ccc(cc1)Cl)=O
SPLASH	splash10-004i-0000900000-1af3b0ac439edba85dce
Source of Spectrum	U1-2009-5251-2b
Synonyms	4-Cyano-5-amino-2-[N'-(N''-p-chlorophenylaminocarbonyl)aminocarbonyl]-3-(p-methoxyphenyl)-2,3-dihydrothiophene (2R,3R)-5-amino-N-[(4-chloroanilino)-oxomethyl]-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carboxamide (2R,3R)-5-azanyl-N-[(4-chlorophenyl)carbamoyl]-4-cyano-3-(4-methoxyphenyl)-2,3-dihydrothiophene-2-carboxamide
Wiley ID	1714187