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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4-(4-fluorophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-fluorophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H29BrFNO4S MolecularWeight: 562.490863

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29BrFNO4S/c1-5-33-26(32)24-20(17-8-11-19(29)12-9-17)16-35-25(24)30-23(31)7-6-14-34-22-13-10-18(15-21(22)28)27(2,3)4/h8-13,15-16H,5-7,14H2,1-4H3,(H,30,31)