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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C29H34BrNO4S MolecularWeight: 572.55356

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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)C(C)(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C29H34BrNO4S/c1-6-19-10-12-20(13-11-19)22-18-36-27(26(22)28(33)34-7-2)31-25(32)9-8-16-35-24-15-14-21(17-23(24)30)29(3,4)5/h10-15,17-18H,6-9,16H2,1-5H3,(H,31,32)