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

Systemtic Name: diethyl 5-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C25H32BrNO6S MolecularWeight: 554.49368

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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(C)(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H32BrNO6S/c1-7-31-23(29)20-15(3)21(24(30)32-8-2)34-22(20)27-19(28)10-9-13-33-18-12-11-16(14-17(18)26)25(4,5)6/h11-12,14H,7-10,13H2,1-6H3,(H,27,28)