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

Systemtic Name: methyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30BrNO5S MolecularWeight: 560.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)OCC)C(=O)OC)Br

InChI

InChI=1S/C27H30BrNO5S/c1-5-18-9-14-22(21(28)16-18)34-15-7-8-23(30)29-26-25(27(31)32-4)24(17(3)35-26)19-10-12-20(13-11-19)33-6-2/h9-14,16H,5-8,15H2,1-4H3,(H,29,30)