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Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
SpectraBase Compound ID HiKaeSSLWc6
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey LTMRFRRUGRYBPO-UHFFFAOYSA-N
Mol Weight 429.44 g/mol
Molecular Formula C21H19NO7S
Exact Mass 429.088223 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2c3HZlFCAcJ
Name Diethyl 5-[(coumarin-3-ylcarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Alternate Name(s) 3-Methyl-5-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester 5-[(2-ketochromene-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Diethyl 3-methyl-5-([(2-oxo-2H-chromen-3-yl)carbonyl]amino)-2,4-thiophenedicarboxylate Diethyl 3-methyl-5-[(2-oxidanylidenechromen-3-yl)carbonylamino]thiophene-2,4-dicarboxylate Diethyl 3-methyl-5-[(2-oxochromene-3-carbonyl)amino]thiophene-2,4-dicarboxylate
CAS Registry Number 301304-82-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO7S
InChI InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23)
InChIKey LTMRFRRUGRYBPO-UHFFFAOYSA-N
Molecular Weight 429.443 g/mol
SMILES N(c1c(c(c(s1)C(=O)OCC)C)C(=O)OCC)C(=O)C=1C(Oc2c(C1)cccc2)=O
SPLASH splash10-00di-6900000000-202cff77509847d7c947
Wiley ID 1467838