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2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 6bvLqHiEqZP
InChI InChI=1S/C20H22N2O6S2/c1-3-27-20(24)18-12-6-4-5-7-15(12)29-19(18)22-30(25,26)16-9-13-14(8-11(16)2)28-10-17(23)21-13/h8-9,22H,3-7,10H2,1-2H3,(H,21,23)
InChIKey FRDLZBSOBASVHA-UHFFFAOYSA-N
Mol Weight 450.52 g/mol
Molecular Formula C20H22N2O6S2
Exact Mass 450.091929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sT3st95iKl
Name 2-[(3-keto-7-methyl-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester
Alternate Name(s) 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(7-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Ethyl 2-[(7-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Ethyl 2-{[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Formula C20H22N2O6S2
InChI InChI=1S/C20H22N2O6S2/c1-3-27-20(24)18-12-6-4-5-7-15(12)29-19(18)22-30(25,26)16-9-13-14(8-11(16)2)28-10-17(23)21-13/h8-9,22H,3-7,10H2,1-2H3,(H,21,23)
InChIKey FRDLZBSOBASVHA-UHFFFAOYSA-N
Molecular Weight 450.524 g/mol
SMILES N(c1c(c2CCCCc2s1)C(=O)OCC)S(c1cc2c(cc1C)OCC(N2)=O)(=O)=O
SPLASH splash10-00b9-3940000000-e209f7068d9d41a74c9b
Wiley ID 1512414