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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H20BrNO4S MolecularWeight: 474.3675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C22H20BrNO4S/c1-3-27-22(26)20-16(15-7-5-4-6-8-15)13-29-21(20)24-19(25)12-28-18-10-9-14(2)11-17(18)23/h4-11,13H,3,12H2,1-2H3,(H,24,25)