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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-propyl-phenoxy)ethanoylamino]-4-(4-chlorophenyl)thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-propylphenoxy)-1-oxoethyl]amino]-4-(4-chlorophenyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-propylphenoxy)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-propyl-phenoxy)acetyl]amino]-4-(4-chlorophenyl)thiophene-3-carboxylic acid methyl ester Formula: C23H21BrClNO4S MolecularWeight: 522.83914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrClNO4S/c1-3-4-14-5-10-19(18(24)11-14)30-12-20(27)26-22-21(23(28)29-2)17(13-31-22)15-6-8-16(25)9-7-15/h5-11,13H,3-4,12H2,1-2H3,(H,26,27)