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

View entire compound with spectra: 2 NMR

Propyl 2-[(3-toluidinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID ChFxCnMD3RT
InChI InChI=1S/C20H24N2O3S/c1-3-11-25-19(23)17-15-9-4-5-10-16(15)26-18(17)22-20(24)21-14-8-6-7-13(2)12-14/h6-8,12H,3-5,9-11H2,1-2H3,(H2,21,22,24)
InChIKey BEEYCTTVNOYMAK-UHFFFAOYSA-N
Mol Weight 372.48 g/mol
Molecular Formula C20H24N2O3S
Exact Mass 372.150764 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3rtTD2cmRoW
Name Propyl 2-[(3-toluidinocarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 372.150763812 u
Formula C20H24N2O3S
InChI InChI=1S/C20H24N2O3S/c1-3-11-25-19(23)17-15-9-4-5-10-16(15)26-18(17)22-20(24)21-14-8-6-7-13(2)12-14/h6-8,12H,3-5,9-11H2,1-2H3,(H2,21,22,24)
InChIKey BEEYCTTVNOYMAK-UHFFFAOYSA-N
Molecular Weight 372.483 g/mol
SMILES N(C1=C(C2=C(CCCC2)S1)C(=O)OCCC)C(NC=1C=C(C)C=CC1)=O