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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22BrNO4S MolecularWeight: 488.39408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)Br

Isomeric SMILES

CCCC1=CC(=C(C=C1)OCC(=O)NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)OC)Br

InChI

InChI=1S/C23H22BrNO4S/c1-3-7-15-10-11-19(18(24)12-15)29-13-20(26)25-22-21(23(27)28-2)17(14-30-22)16-8-5-4-6-9-16/h4-6,8-12,14H,3,7,13H2,1-2H3,(H,25,26)