methyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)CCCOC3=C(C=C(C=C3)C)Br)C

InChI

InChI=1S/C26H28BrNO5S/c1-5-32-19-11-9-18(10-12-19)23-17(3)34-25(24(23)26(30)31-4)28-22(29)7-6-14-33-21-13-8-16(2)15-20(21)27/h8-13,15H,5-7,14H2,1-4H3,(H,28,29)