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4-[3-[(2-amino-3-ethoxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester
SpectraBase Compound ID 5Wkzy4sZXaj
InChI InChI=1S/C17H20N2O6S/c1-3-25-17(23)12(18)9-26-13-8-14(20)19(15(13)21)11-6-4-10(5-7-11)16(22)24-2/h4-7,12-13H,3,8-9,18H2,1-2H3
InChIKey XSBGTWOLYHUERP-UHFFFAOYSA-N
Mol Weight 380.42 g/mol
Molecular Formula C17H20N2O6S
Exact Mass 380.104208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IdtdraRInjn
Name 4-[3-[(2-amino-3-ethoxy-3-keto-propyl)thio]-2,5-diketo-pyrrolidino]benzoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N2O6S
InChI InChI=1S/C17H20N2O6S/c1-3-25-17(23)12(18)9-26-13-8-14(20)19(15(13)21)11-6-4-10(5-7-11)16(22)24-2/h4-7,12-13H,3,8-9,18H2,1-2H3
InChIKey XSBGTWOLYHUERP-UHFFFAOYSA-N
Molecular Weight 380.415 g/mol
SMILES NC(C(=O)OCC)CSC1C(N(C(C1)=O)c1ccc(C(=O)OC)cc1)=O
SPLASH splash10-0udi-8912000000-e512d683d17124f89970
Synonyms 4-[3-[(2-amino-3-ethoxy-3-oxopropyl)thio]-2,5-dioxo-1-pyrrolidinyl]benzoic acid methyl ester Methyl 4-[3-(2-amino-3-ethoxy-3-oxo-propyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]benzoate Methyl 4-[3-(2-azanyl-3-ethoxy-3-oxidanylidene-propyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]benzoate
Wiley ID 1453401