methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30BrNO5S MolecularWeight: 560.4998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C)C

InChI

InChI=1S/C27H30BrNO5S/c1-7-33-19-11-8-17(9-12-19)23-16(2)35-25(24(23)26(31)32-6)29-22(30)15-34-21-13-10-18(28)14-20(21)27(3,4)5/h8-14H,7,15H2,1-6H3,(H,29,30)