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Ethyl 2-[(4-methylbenzoyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID LcIf9ibdKKA
InChI InChI=1S/C19H19NO4S/c1-3-24-19(23)15-13-5-4-6-14(21)16(13)25-18(15)20-17(22)12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3,(H,20,22)
InChIKey APIXNPJKJWVWHS-UHFFFAOYSA-N
Mol Weight 357.42 g/mol
Molecular Formula C19H19NO4S
Exact Mass 357.103479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATObShqXVQ4
Name Ethyl 2-[(4-methylbenzoyl)amino]-7-oxo-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Alternate Name(s) 2-[[(4-methylphenyl)-oxomethyl]amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester Ethyl 2-[(4-methylbenzoyl)amino]-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Ethyl 2-[(4-methylbenzoyl)amino]-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate Ethyl 2-[(4-methylphenyl)carbonylamino]-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate
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Formula C19H19NO4S
InChI InChI=1S/C19H19NO4S/c1-3-24-19(23)15-13-5-4-6-14(21)16(13)25-18(15)20-17(22)12-9-7-11(2)8-10-12/h7-10H,3-6H2,1-2H3,(H,20,22)
InChIKey APIXNPJKJWVWHS-UHFFFAOYSA-N
Molecular Weight 357.424 g/mol
SMILES N(C(=O)c1ccc(cc1)C)c1sc2C(CCCc2c1C(OCC)=O)=O
SPLASH splash10-014i-4904000000-641af3505a4fa2836058
Wiley ID 1453544