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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

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