ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br

InChI

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