ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(2-bromanyl-4-tert-butyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[4-(2-bromo-4-tert-butylphenoxy)-1-oxobutyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[4-(2-bromo-4-tert-butyl-phenoxy)butanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H30BrNO4S MolecularWeight: 496.4576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30BrNO4S/c1-7-28-22(27)20-14(2)15(3)30-21(20)25-19(26)9-8-12-29-18-11-10-16(13-17(18)24)23(4,5)6/h10-11,13H,7-9,12H2,1-6H3,(H,25,26)