ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4-(4-chlorophenyl)-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-(4-chlorophenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-chlorophenyl)-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H31BrClNO4S MolecularWeight: 592.97204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=C(C=C2)Cl)C)NC(=O)CCCOC3=C(C=C(C=C3)C(C)(C)C)Br

InChI

InChI=1S/C28H31BrClNO4S/c1-6-34-27(33)25-24(18-9-12-20(30)13-10-18)17(2)36-26(25)31-23(32)8-7-15-35-22-14-11-19(16-21(22)29)28(3,4)5/h9-14,16H,6-8,15H2,1-5H3,(H,31,32)