ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-butylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-butylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-butylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C25H26BrNO4S/c1-3-5-6-17-7-9-18(10-8-17)21-16-32-24(23(21)25(29)30-4-2)27-22(28)15-31-20-13-11-19(26)12-14-20/h7-14,16H,3-6,15H2,1-2H3,(H,27,28)