ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(4-methoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)OC)C(=O)OCC)Br

InChI

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