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(E)-ethyl 2-(2-(4-oxothiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[b]-thiophene-3-carboxylate
SpectraBase Compound ID 32UOBndrxct
InChI InChI=1S/C16H18N2O4S2/c1-2-22-16(21)14-9-5-3-4-6-10(9)24-15(14)18-11(19)7-13-17-12(20)8-23-13/h7H,2-6,8H2,1H3,(H,17,20)(H,18,19)/b13-7+
InChIKey KPVCOJRUDRLYPL-NTUHNPAUSA-N
Mol Weight 366.45 g/mol
Molecular Formula C16H18N2O4S2
Exact Mass 366.070799 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID APe57NI2QU5
Name (E)-Ethyl 2-(2-(4-oxothiazolidin-2-ylidene)acetamido)-4,5,6,7-tetrahydrobenzo[B]-thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.070799412 u
Formula C16H18N2O4S2
InChI InChI=1S/C16H18N2O4S2/c1-2-22-16(21)14-9-5-3-4-6-10(9)24-15(14)18-11(19)7-13-17-12(20)8-23-13/h7H,2-6,8H2,1H3,(H,17,20)(H,18,19)/b13-7+
InChIKey KPVCOJRUDRLYPL-NTUHNPAUSA-N
Molecular Weight 366.450 g/mol
SMILES C1CCC=2SC(=C(C(OCC)=O)C2C1)NC(\C=C\1SCC(N1)=O)=O