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

Systemtic Name: diethyl 5-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C23H28BrNO6S MolecularWeight: 526.44052

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

InChI

InChI=1S/C23H28BrNO6S/c1-5-15-10-11-17(16(24)13-15)31-12-8-9-18(26)25-21-19(22(27)29-6-2)14(4)20(32-21)23(28)30-7-3/h10-11,13H,5-9,12H2,1-4H3,(H,25,26)