ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-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:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3C)Br)C

InChI

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