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isopropyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

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isopropyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SpectraBase Compound ID GlfDBqtGsqF
InChI InChI=1S/C18H21NO3S2/c1-11(2)22-18(21)15-12-7-4-3-5-8-13(12)24-17(15)19-16(20)14-9-6-10-23-14/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20)
InChIKey VAADKJDZOMZBEF-UHFFFAOYSA-N
Mol Weight 363.49 g/mol
Molecular Formula C18H21NO3S2
Exact Mass 363.096286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CzSohng8oNE
Name Isopropyl 2-[(2-thienylcarbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[B]thiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 363.096285885 u
Formula C18H21NO3S2
InChI InChI=1S/C18H21NO3S2/c1-11(2)22-18(21)15-12-7-4-3-5-8-13(12)24-17(15)19-16(20)14-9-6-10-23-14/h6,9-11H,3-5,7-8H2,1-2H3,(H,19,20)
InChIKey VAADKJDZOMZBEF-UHFFFAOYSA-N
Molecular Weight 363.490 g/mol
SMILES N(C1=C(C(OC(C)C)=O)C2=C(CCCCC2)S1)C(C=1SC=CC1)=O