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3-[(4-bromoanilino)-oxomethyl]-2-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
SpectraBase Compound ID Iu8hkevLLwT
InChI InChI=1S/C26H26BrN3O5S/c1-3-34-26(33)30-13-12-19-21(14-30)36-25(23(19)24(32)28-18-10-8-17(27)9-11-18)29-22(31)15-35-20-7-5-4-6-16(20)2/h4-11H,3,12-15H2,1-2H3,(H,28,32)(H,29,31)
InChIKey MGVDLBCUGXMPIS-UHFFFAOYSA-N
Mol Weight 572.47 g/mol
Molecular Formula C26H26BrN3O5S
Exact Mass 571.077655 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DKAy8L7t8Tx
Name 3-[(4-bromoanilino)-oxomethyl]-2-[[2-(2-methylphenoxy)-1-oxoethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
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Formula C26H26BrN3O5S
InChI InChI=1S/C26H26BrN3O5S/c1-3-34-26(33)30-13-12-19-21(14-30)36-25(23(19)24(32)28-18-10-8-17(27)9-11-18)29-22(31)15-35-20-7-5-4-6-16(20)2/h4-11H,3,12-15H2,1-2H3,(H,28,32)(H,29,31)
InChIKey MGVDLBCUGXMPIS-UHFFFAOYSA-N
Molecular Weight 572.474 g/mol
SMILES N(c1c(C(Nc2ccc(cc2)Br)=O)c2c(s1)CN(CC2)C(=O)OCC)C(=O)COc1c(C)cccc1
SPLASH splash10-00dl-8930010000-2725aa2412890c82d565
Synonyms 3-[(4-bromophenyl)carbamoyl]-2-[[2-(2-methylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester Ethyl 3-[(4-bromoanilino)carbonyl]-2-{[(2-methylphenoxy)acetyl]amino}-4,7-dihydrothieno[2,3-c]pyridine-6(5H)-carboxylate Ethyl 3-[(4-bromophenyl)carbamoyl]-2-[2-(2-methylphenoxy)ethanoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate Ethyl 3-[(4-bromophenyl)carbamoyl]-2-[[2-(2-methylphenoxy)acetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Wiley ID 1461432