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

Systemtic Name: diethyl 5-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)COC2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C20H22BrNO6S/c1-5-26-19(24)16-12(4)17(20(25)27-6-2)29-18(16)22-15(23)10-28-14-8-7-11(3)9-13(14)21/h7-9H,5-6,10H2,1-4H3,(H,22,23)