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2-[(5-benzoyl-3-nitro-2-thienyl)-isopropyl-amino]-2-keto-acetic acid ethyl ester
SpectraBase Compound ID 4h1ZwWYYVPX
InChI InChI=1S/C18H18N2O6S/c1-4-26-18(23)16(22)19(11(2)3)17-13(20(24)25)10-14(27-17)15(21)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKey JQIWATCZMXCGDX-UHFFFAOYSA-N
Mol Weight 390.41 g/mol
Molecular Formula C18H18N2O6S
Exact Mass 390.088557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID fb11VlBtV6
Name 2-[(5-benzoyl-3-nitro-2-thienyl)-isopropyl-amino]-2-keto-acetic acid ethyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2O6S
InChI InChI=1S/C18H18N2O6S/c1-4-26-18(23)16(22)19(11(2)3)17-13(20(24)25)10-14(27-17)15(21)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3
InChIKey JQIWATCZMXCGDX-UHFFFAOYSA-N
Molecular Weight 390.410 g/mol
SMILES c1(c(cc(s1)C(=O)c1ccccc1)N(=O)=O)N(C(C(=O)OCC)=O)C(C)C
SPLASH splash10-0006-0039000000-80645983048f77099f1a
Source of Spectrum H1-55-1966-3
Synonyms 2-[(5-benzoyl-3-nitro-2-thiophenyl)-propan-2-ylamino]-2-oxoacetic acid ethyl ester Ethyl 2-[(5-benzoyl-3-nitro-2-thienyl)-isopropyl-amino]-2-oxo-acetate Ethyl 2-[(5-benzoyl-3-nitrothiophen-2-yl)-propan-2-ylamino]-2-oxoacetate Ethyl 2-[[3-nitro-5-(phenylcarbonyl)thiophen-2-yl]-propan-2-yl-amino]-2-oxidanylidene-ethanoate
Wiley ID 1564671