(1S,3aR,4R,6R,6aS)-1-(ethylthio)-3-keto-5-(4-methoxyphenyl)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester

SpectraBase Compound ID	7hN7bNfakAI
InChI	InChI=1S/C19H23NO7S/c1-5-28-19-13-12(16(21)27-19)14(17(22)25-3)20(15(13)18(23)26-4)10-6-8-11(24-2)9-7-10/h6-9,12-15,19H,5H2,1-4H3/t12-,13+,14-,15-,19+/m1/s1
InChIKey	ZJLVGBJXHFHRMC-YHZMMZGRSA-N Google Search
Mol Weight	409.45 g/mol
Molecular Formula	C19H23NO7S
Exact Mass	409.119523 g/mol

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SpectraBase Spectrum ID	5vGg9L0gNWp
Name	(1S,3aR,4R,6R,6aS)-1-(ethylthio)-3-keto-5-(4-methoxyphenyl)-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C19H23NO7S
InChI	InChI=1S/C19H23NO7S/c1-5-28-19-13-12(16(21)27-19)14(17(22)25-3)20(15(13)18(23)26-4)10-6-8-11(24-2)9-7-10/h6-9,12-15,19H,5H2,1-4H3/t12-,13+,14-,15-,19+/m1/s1
InChIKey	ZJLVGBJXHFHRMC-YHZMMZGRSA-N
Molecular Weight	409.453 g/mol
SMILES	[C@@]12([C@@]([C@@](C(=O)OC)([H])N([C@]2(C(=O)OC)[H])c2ccc(cc2)OC)([C@@](SCC)([H])OC1=O)[H])[H]
SPLASH	splash10-001i-0090500000-3e7ee50cf2738f441e8d
Source of Spectrum	H1-52-249-25
Synonyms	(1S,3aR,4R,6R,6aS)-1-(ethylthio)-5-(4-methoxyphenyl)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylic acid dimethyl ester dimethyl (1S,3aR,4R,6R,6aS)-1-ethylsulfanyl-5-(4-methoxyphenyl)-3-oxidanylidene-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylate dimethyl (1S,3aR,4R,6R,6aS)-1-ethylsulfanyl-5-(4-methoxyphenyl)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-4,6-dicarboxylate
Wiley ID	817596