methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(3-bromanylphenoxy)propanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxopropyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-bromophenoxy)propanoylamino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[2-(3-bromophenoxy)propanoylamino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C24H24BrNO5S MolecularWeight: 518.42006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C(C)OC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C(C)OC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C24H24BrNO5S/c1-5-30-18-11-9-16(10-12-18)20-15(3)32-23(21(20)24(28)29-4)26-22(27)14(2)31-19-8-6-7-17(25)13-19/h6-14H,5H2,1-4H3,(H,26,27)