methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanylphenoxy)ethanoylamino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-4-(4-butylphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-4-(4-butylphenyl)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=CC=C(C=C3)Br)C

InChI

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