ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-4-(4-ethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-4-(4-ethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-4-(4-ethylphenyl)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)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)COC3=C(C=C(C=C3)Br)C(C)(C)C

InChI

InChI=1S/C27H30BrNO4S/c1-6-17-8-10-18(11-9-17)20-16-34-25(24(20)26(31)32-7-2)29-23(30)15-33-22-13-12-19(28)14-21(22)27(3,4)5/h8-14,16H,6-7,15H2,1-5H3,(H,29,30)