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2-[(2-keto-6-methoxy-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID L5ZBuhqyIWH
InChI InChI=1S/C22H21NO6S/c1-3-28-22(26)18-14-6-4-5-7-17(14)30-20(18)23-19(24)15-11-12-10-13(27-2)8-9-16(12)29-21(15)25/h8-11H,3-7H2,1-2H3,(H,23,24)
InChIKey ZNHJLFCFTODJFA-UHFFFAOYSA-N
Mol Weight 427.47 g/mol
Molecular Formula C22H21NO6S
Exact Mass 427.108959 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7lmAf6dDHwk
Name 2-[(2-keto-6-methoxy-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[[(6-methoxy-2-oxo-1-benzopyran-3-yl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(6-methoxy-2-oxidanylidene-chromen-3-yl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(6-methoxy-2-oxo-chromene-3-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-[(6-methoxy-2-oxochromene-3-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C22H21NO6S
InChI InChI=1S/C22H21NO6S/c1-3-28-22(26)18-14-6-4-5-7-17(14)30-20(18)23-19(24)15-11-12-10-13(27-2)8-9-16(12)29-21(15)25/h8-11H,3-7H2,1-2H3,(H,23,24)
InChIKey ZNHJLFCFTODJFA-UHFFFAOYSA-N
Molecular Weight 427.471 g/mol
SMILES N(C(=O)C=1C(Oc2c(C1)cc(cc2)OC)=O)c1sc2c(c1C(OCC)=O)CCCC2
SPLASH splash10-0udi-5951100000-7fc2ab3a7fc2141835be
Wiley ID 1438638