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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H22BrNO4S MolecularWeight: 536.43688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC2=C(C=C(C=C2)C3=CC=CC=C3)Br)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C27H22BrNO4S/c1-17-24(19-11-7-4-8-12-19)25(27(31)32-2)26(34-17)29-23(30)16-33-22-14-13-20(15-21(22)28)18-9-5-3-6-10-18/h3-15H,16H2,1-2H3,(H,29,30)