ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-methyl-phenoxy)butanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-methylphenoxy)-1-oxobutyl]amino]-4-(3,4-dimethoxyphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-methylphenoxy)butanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-methyl-phenoxy)butanoylamino]-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C26H28BrNO6S MolecularWeight: 562.47262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H28BrNO6S/c1-5-33-26(30)24-18(17-9-11-21(31-3)22(14-17)32-4)15-35-25(24)28-23(29)7-6-12-34-20-10-8-16(2)13-19(20)27/h8-11,13-15H,5-7,12H2,1-4H3,(H,28,29)