methyl 4-(4-bromophenyl)-5-methyl-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-5-methyl-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[4-[4-(1,1-dimethylpropyl)phenoxy]butanoylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-5-methyl-2-[[4-[4-(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-5-methyl-2-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]thiophene-3-carboxylate Traditional Name: 2-[4-(4-tert-amylphenoxy)butanoylamino]-4-(4-bromophenyl)-5-methyl-thiophene-3-carboxylic acid methyl 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(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

InChI

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