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ethyl 2-{[[(2E)-2-(2-furylmethylene)hydrazino](oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID EAUFMDv97R4
InChI InChI=1S/C18H19N3O5S/c1-2-25-18(24)14-12-7-3-4-8-13(12)27-17(14)20-15(22)16(23)21-19-10-11-6-5-9-26-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)/b19-10+
InChIKey QJTVFHGCRIUKEM-VXLYETTFSA-N
Mol Weight 389.43 g/mol
Molecular Formula C18H19N3O5S
Exact Mass 389.104542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GWLTzvZ7NLD
Name Ethyl 2-{[[(2E)-2-(2-furylmethylene)hydrazino](oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 389.104541893 u
Formula C18H19N3O5S
InChI InChI=1S/C18H19N3O5S/c1-2-25-18(24)14-12-7-3-4-8-13(12)27-17(14)20-15(22)16(23)21-19-10-11-6-5-9-26-11/h5-6,9-10H,2-4,7-8H2,1H3,(H,20,22)(H,21,23)/b19-10+
InChIKey QJTVFHGCRIUKEM-VXLYETTFSA-N
Molecular Weight 389.426 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(C(N\N=C\C=1OC=CC1)=O)=O