methyl 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)C)Br

InChI

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