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2-[(2-Chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2-[(2-Chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID GzyYo2ZTkmo
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Mol Weight 396.91 g/mol
Molecular Formula C17H17ClN2O3S2
Exact Mass 396.036912 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3BHRWAVOUw2
Name 2-[(2-Chlorobenzoyl)thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.036912460 u
Formula C17H17ClN2O3S2
InChI InChI=1S/C17H17ClN2O3S2/c1-4-23-16(22)13-9(2)10(3)25-15(13)20-17(24)19-14(21)11-7-5-6-8-12(11)18/h5-8H,4H2,1-3H3,(H2,19,20,21,24)
InChIKey RVZMWCHOQJGQNZ-UHFFFAOYSA-N
Molecular Weight 396.907 g/mol
SMILES C1(=C(C(C)=C(S1)C)C(=O)OCC)NC(NC(C=1C(Cl)=CC=CC1)=O)=S