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

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-chloranyl-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)-1-oxobutyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-chloro-3,5-dimethylphenoxy)butanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-chloro-3,5-dimethyl-phenoxy)butanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27BrClNO4S MolecularWeight: 564.91888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCOC3=C(C(=C(C(=C3)C)Cl)C)Br

InChI

InChI=1S/C26H27BrClNO4S/c1-5-32-26(31)22-21(18-10-7-6-8-11-18)17(4)34-25(22)29-20(30)12-9-13-33-19-14-15(2)24(28)16(3)23(19)27/h6-8,10-11,14H,5,9,12-13H2,1-4H3,(H,29,30)