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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCCOC2=C(C=C(C=C2)C(C)(C)C)Br)C(=O)OCC

InChI

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