ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO5S MolecularWeight: 496.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=C(S2)C(=O)C)C)C(=O)OCC)Br

InChI

InChI=1S/C22H26BrNO5S/c1-5-15-9-10-17(16(23)12-15)29-11-7-8-18(26)24-21-19(22(27)28-6-2)13(3)20(30-21)14(4)25/h9-10,12H,5-8,11H2,1-4H3,(H,24,26)