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

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

Isomeric SMILES

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

InChI

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