ethyl 4-(4-bromophenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C28H32BrNO4S MolecularWeight: 558.52698

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)OCC

InChI

InChI=1S/C28H32BrNO4S/c1-5-28(3,4)20-11-15-22(16-12-20)34-17-7-8-24(31)30-26-25(27(32)33-6-2)23(18-35-26)19-9-13-21(29)14-10-19/h9-16,18H,5-8,17H2,1-4H3,(H,30,31)