methyl 4-(4-bromophenyl)-2-[2-(4-propylphenoxy)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[2-(4-propylphenoxy)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[2-(4-propylphenoxy)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-2-(4-propylphenoxy)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[2-(4-propylphenoxy)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(4-propylphenoxy)acetyl]amino]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=C(C=C3)Br)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22BrNO4S/c1-3-4-15-5-11-18(12-6-15)29-13-20(26)25-22-21(23(27)28-2)19(14-30-22)16-7-9-17(24)10-8-16/h5-12,14H,3-4,13H2,1-2H3,(H,25,26)