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4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2-pyridinylthio)acetyl]amino]-, ethyl ester

View entire compound with spectra: 2 NMR

4H-cyclopenta[b]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2-pyridinylthio)acetyl]amino]-, ethyl ester
SpectraBase Compound ID GoVAvOyvbIY
InChI InChI=1S/C17H18N2O3S2/c1-2-22-17(21)15-11-6-5-7-12(11)24-16(15)19-13(20)10-23-14-8-3-4-9-18-14/h3-4,8-9H,2,5-7,10H2,1H3,(H,19,20)
InChIKey SSPFMZYYQQYFSN-UHFFFAOYSA-N
Mol Weight 362.46 g/mol
Molecular Formula C17H18N2O3S2
Exact Mass 362.075885 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1iqkyImGTa
Name 4H-Cyclopenta[B]thiophene-3-carboxylic acid, 5,6-dihydro-2-[[(2-pyridinylthio)acetyl]amino]-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.075884793 u
Formula C17H18N2O3S2
InChI InChI=1S/C17H18N2O3S2/c1-2-22-17(21)15-11-6-5-7-12(11)24-16(15)19-13(20)10-23-14-8-3-4-9-18-14/h3-4,8-9H,2,5-7,10H2,1H3,(H,19,20)
InChIKey SSPFMZYYQQYFSN-UHFFFAOYSA-N
Molecular Weight 362.462 g/mol
SMILES N(C1=C(C=2CCCC2S1)C(=O)OCC)C(=O)CSC=1N=CC=CC1