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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO4S MolecularWeight: 530.47382

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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=CC=C3)C(=O)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4S/c1-4-18-13-14-21(20(27)16-18)32-15-9-12-22(29)28-25-24(26(30)31-5-2)23(17(3)33-25)19-10-7-6-8-11-19/h6-8,10-11,13-14,16H,4-5,9,12,15H2,1-3H3,(H,28,29)