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5-(3,5-dimethyl-4-ethoxycarbonyl-1H-pyrrolyl-2-)methylene-3-iso-propyl-2-(hydroxyimino)-1,3-thiazolidine-4-one
SpectraBase Compound ID 3f8nLvjXeuu
InChI InChI=1S/C16H21N3O4S/c1-6-23-15(21)13-9(4)11(17-10(13)5)7-12-14(20)19(8(2)3)16(18-22)24-12/h7-8,17,22H,6H2,1-5H3/b12-7-,18-16-
InChIKey GDWDTFHKYWLYHH-NAOBGIIFSA-N
Mol Weight 351.42 g/mol
Molecular Formula C16H21N3O4S
Exact Mass 351.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8pUsFw0sbYq
Name 5-(3,5-dimethyl-4-ethoxycarbonyl-1H-pyrrolyl-2-)methylene-3-iso-propyl-2-(hydroxyimino)-1,3-thiazolidine-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H21N3O4S
InChI InChI=1S/C16H21N3O4S/c1-6-23-15(21)13-9(4)11(17-10(13)5)7-12-14(20)19(8(2)3)16(18-22)24-12/h7-8,17,22H,6H2,1-5H3/b12-7-,18-16-
InChIKey GDWDTFHKYWLYHH-NAOBGIIFSA-N
Literature Reference DOI 10.1016/j.ejmech.2016.05.060
Molecular Weight 351.421 g/mol
SMILES [nH]1c(c(c(c1\C=C\1S\C(=N/O)N(C1=O)C(C)C)C)C(=O)OCC)C
SPLASH splash10-0fkd-4942000000-0144123ccae3b6e00f5c
Source of Spectrum Ge Meng, et al. European Journal of Medicinal Chemistry, 10.1016/j.ejmech.2016.05.060
Synonyms Ethyl 5-((Z)-((Z)-2-(hydroxyimino)-3-isopropyl-4-oxothiazolidin-5-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Wiley ID 1816498