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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C29H26BrNO5S MolecularWeight: 580.48944

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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)C4=CC=CC=C4)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br)C

InChI

InChI=1S/C29H26BrNO5S/c1-4-35-22-13-10-20(11-14-22)26-18(2)37-28(27(26)29(33)34-3)31-25(32)17-36-24-15-12-21(16-23(24)30)19-8-6-5-7-9-19/h5-16H,4,17H2,1-3H3,(H,31,32)