(2S,4'S,5'R)-Ethyl 2-{3-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-2-[bis(methylsulfanyl)methyleneamino]-3-oxopropyl}acrylate

SpectraBase Compound ID	BGBALG5qzjQ
InChI	InChI=1S/C22H29N3O4S2/c1-6-29-18(26)14-10-13-17(23-21(30-4)31-5)20(27)25-19(15(2)24(3)22(25)28)16-11-8-7-9-12-16/h7-12,14-15,17,19H,6,13H2,1-5H3/b14-10+/t15-,17-,19-/m0/s1
InChIKey	JACFIRQXRNIECS-PRGVGGLPSA-N Google Search
Mol Weight	463.61 g/mol
Molecular Formula	C22H29N3O4S2
Exact Mass	463.159949 g/mol

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SpectraBase Spectrum ID	4HIrA7b4iOE
Name	(2S,4'S,5'R)-Ethyl 2-{3-(3',4'-Dimethyl-2'-oxo-5'-phenyl-1'-imidazolyldinyl)-2-[bis(methylsulfanyl)methyleneamino]-3-oxopropyl}acrylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H29N3O4S2
InChI	InChI=1S/C22H29N3O4S2/c1-6-29-18(26)14-10-13-17(23-21(30-4)31-5)20(27)25-19(15(2)24(3)22(25)28)16-11-8-7-9-12-16/h7-12,14-15,17,19H,6,13H2,1-5H3/b14-10+/t15-,17-,19-/m0/s1
InChIKey	JACFIRQXRNIECS-PRGVGGLPSA-N
Molecular Weight	463.611 g/mol
SMILES	C1(N([C@@]([C@@](N1C)(C)[H])(c1ccccc1)[H])C([C@@](N=C(SC)SC)(C\C=C\C(=O)OCC)[H])=O)=O
SPLASH	splash10-014i-0000900000-bccdd85cc7206c05e8fa
Source of Spectrum	J-65-7318-25
Synonyms	(E,5S)-5-[bis(methylthio)methylideneamino]-6-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-1-imidazolidinyl]-6-oxo-2-hexenoic acid ethyl ester ethyl (E,5S)-5-[bis(methylsulfanyl)methylideneamino]-6-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-6-oxohex-2-enoate ethyl (E,5S)-5-[bis(methylsulfanyl)methyleneamino]-6-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenyl-imidazolidin-1-yl]-6-oxo-hex-2-enoate ethyl (E,5S)-5-[bis(methylsulfanyl)methylideneamino]-6-[(4S,5R)-3,4-dimethyl-2-oxidanylidene-5-phenyl-imidazolidin-1-yl]-6-oxidanylidene-hex-2-enoate
Wiley ID	1533639