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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(p-tolyl)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(=CS2)C3=CC=C(C=C3)C)C(=O)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO4S/c1-4-18-10-13-22(21(27)15-18)32-14-6-7-23(29)28-25-24(26(30)31-5-2)20(16-33-25)19-11-8-17(3)9-12-19/h8-13,15-16H,4-7,14H2,1-3H3,(H,28,29)