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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OCC)Br

InChI

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