diethyl 5-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(2-bromo-4-methylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H26BrNO6S MolecularWeight: 512.41394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCOC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C22H26BrNO6S/c1-5-28-21(26)18-14(4)19(22(27)29-6-2)31-20(18)24-17(25)8-7-11-30-16-10-9-13(3)12-15(16)23/h9-10,12H,5-8,11H2,1-4H3,(H,24,25)