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Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

View entire compound with spectra: 2 NMR

Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 4PmcPXiRrPF
InChI InChI=1S/C20H23NO4S/c1-3-24-15-11-7-5-9-13(15)18(22)21-19-17(20(23)25-4-2)14-10-6-8-12-16(14)26-19/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3,(H,21,22)
InChIKey JPHCVRBVJIJIBQ-UHFFFAOYSA-N
Mol Weight 373.47 g/mol
Molecular Formula C20H23NO4S
Exact Mass 373.134779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AHsqJViJgPE
Name Ethyl 2-[(2-ethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 373.134779395 u
Formula C20H23NO4S
InChI InChI=1S/C20H23NO4S/c1-3-24-15-11-7-5-9-13(15)18(22)21-19-17(20(23)25-4-2)14-10-6-8-12-16(14)26-19/h5,7,9,11H,3-4,6,8,10,12H2,1-2H3,(H,21,22)
InChIKey JPHCVRBVJIJIBQ-UHFFFAOYSA-N
Molecular Weight 373.467 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C=1C(OCC)=CC=CC1)=O