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2-Methoxyethyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2lt6gCNei1W
InChI InChI=1S/C17H19NO4S2/c1-21-8-9-22-17(20)14-11-5-2-3-6-12(11)24-16(14)18-15(19)13-7-4-10-23-13/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,18,19)
InChIKey WZUDKXMZGGSCKE-UHFFFAOYSA-N
Mol Weight 365.46 g/mol
Molecular Formula C17H19NO4S2
Exact Mass 365.07555 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HM2hTnrPKti
Name 2-Methoxyethyl 2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 365.075550440 u
Formula C17H19NO4S2
InChI InChI=1S/C17H19NO4S2/c1-21-8-9-22-17(20)14-11-5-2-3-6-12(11)24-16(14)18-15(19)13-7-4-10-23-13/h4,7,10H,2-3,5-6,8-9H2,1H3,(H,18,19)
InChIKey WZUDKXMZGGSCKE-UHFFFAOYSA-N
Molecular Weight 365.462 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCCOC)C(C=1SC=CC1)=O