ethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO4S/c1-3-15-10-11-19(18(24)12-15)29-13-20(26)25-22-21(23(27)28-4-2)17(14-30-22)16-8-6-5-7-9-16/h5-12,14H,3-4,13H2,1-2H3,(H,25,26)