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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H25BrClNO5S MolecularWeight: 530.8596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCOC2=C(C(=C(C(=C2)C)Cl)C)Br

InChI

InChI=1S/C22H25BrClNO5S/c1-6-29-22(28)17-12(3)20(14(5)26)31-21(17)25-16(27)8-7-9-30-15-10-11(2)19(24)13(4)18(15)23/h10H,6-9H2,1-5H3,(H,25,27)