ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-ethyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-ethylphenoxy)-1-oxobutyl]amino]-4-(3,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-ethylphenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-ethyl-phenoxy)butanoylamino]-4-(3,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C27H30BrNO4S MolecularWeight: 544.5004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCCCC(=O)NC2=C(C(=CS2)C3=CC(=C(C=C3)C)C)C(=O)OCC)Br

InChI

InChI=1S/C27H30BrNO4S/c1-5-19-10-12-23(22(28)15-19)33-13-7-8-24(30)29-26-25(27(31)32-6-2)21(16-34-26)20-11-9-17(3)18(4)14-20/h9-12,14-16H,5-8,13H2,1-4H3,(H,29,30)