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

Systemtic Name: methyl 2-[2-(4-bromanyl-2-propan-2-yl-phenoxy)ethanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-propan-2-ylphenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-isopropyl-phenoxy)acetyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C26H28BrNO5S MolecularWeight: 546.47322

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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

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

InChI

InChI=1S/C26H28BrNO5S/c1-6-32-19-10-7-17(8-11-19)23-16(4)34-25(24(23)26(30)31-5)28-22(29)14-33-21-12-9-18(27)13-20(21)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,28,29)