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methyl 4-(4-chlorophenyl)-2-{[(2E)-3-(2-furyl)-2-propenoyl]amino}-5-methyl-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

methyl 4-(4-chlorophenyl)-2-{[(2E)-3-(2-furyl)-2-propenoyl]amino}-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID Ig7b2OAprqt
InChI InChI=1S/C20H16ClNO4S/c1-12-17(13-5-7-14(21)8-6-13)18(20(24)25-2)19(27-12)22-16(23)10-9-15-4-3-11-26-15/h3-11H,1-2H3,(H,22,23)/b10-9+
InChIKey UGMBYRPIHJWYHF-MDZDMXLPSA-N
Mol Weight 401.86 g/mol
Molecular Formula C20H16ClNO4S
Exact Mass 401.048857 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JfIbMQSAxVA
Name Methyl 4-(4-chlorophenyl)-2-{[(2E)-3-(2-furyl)-2-propenoyl]amino}-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.048856869 u
Formula C20H16ClNO4S
InChI InChI=1S/C20H16ClNO4S/c1-12-17(13-5-7-14(21)8-6-13)18(20(24)25-2)19(27-12)22-16(23)10-9-15-4-3-11-26-15/h3-11H,1-2H3,(H,22,23)/b10-9+
InChIKey UGMBYRPIHJWYHF-MDZDMXLPSA-N
Molecular Weight 401.864 g/mol
SMILES N(C1=C(C(=C(C)S1)C1=CC=C(C=C1)Cl)C(=O)OC)C(\C=C\C=1OC=CC1)=O