ethyl 2-[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]ethanoylamino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-(4-bromanylphenoxy)ethyl-methyl-amino]ethanoylamino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-(4-bromophenoxy)ethyl-methyl-amino]acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[2-(4-bromophenoxy)ethyl-methylamino]-1-oxoethyl]amino]-5-methyl-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-bromophenoxy)ethyl-methylamino]acetyl]amino]-5-methyl-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[2-(4-bromophenoxy)ethyl-methyl-amino]acetyl]amino]-5-methyl-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H29BrN2O4S MolecularWeight: 545.48846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN(C)CCOC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)C)C)NC(=O)CN(C)CCOC3=CC=C(C=C3)Br

InChI

InChI=1S/C26H29BrN2O4S/c1-5-32-26(31)24-23(19-8-6-17(2)7-9-19)18(3)34-25(24)28-22(30)16-29(4)14-15-33-21-12-10-20(27)11-13-21/h6-13H,5,14-16H2,1-4H3,(H,28,30)