methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-tert-butyl-phenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2-tert-butylphenoxy)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-tert-butylphenoxy)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-tert-butyl-phenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H26BrNO4S MolecularWeight: 516.44724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)Br)C(C)(C)C)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H26BrNO4S/c1-15-21(16-9-7-6-8-10-16)22(24(29)30-5)23(32-15)27-20(28)14-31-19-12-11-17(26)13-18(19)25(2,3)4/h6-13H,14H2,1-5H3,(H,27,28)