ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30BrNO4S MolecularWeight: 544.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)CC)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)CCCOC3=C(C=C(C=C3)CC)Br

InChI

InChI=1S/C27H30BrNO4S/c1-4-18-9-12-20(13-10-18)21-17-34-26(25(21)27(31)32-6-3)29-24(30)8-7-15-33-23-14-11-19(5-2)16-22(23)28/h9-14,16-17H,4-8,15H2,1-3H3,(H,29,30)