methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid methyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OC)Br

InChI

InChI=1S/C25H26BrNO4S/c1-5-6-17-8-10-21(20(26)12-17)31-13-22(28)27-24-23(25(29)30-4)19(14-32-24)18-9-7-15(2)16(3)11-18/h7-12,14H,5-6,13H2,1-4H3,(H,27,28)