4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate

Systemtic Name: 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Openeye Name: 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxylate IUPAC Name: 4-(4-bromophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-(hydrocinnamoylamino)-3-thenoate Formula: C20H15BrNO3S- MolecularWeight: 429.307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)[O-]

InChI

InChI=1S/C20H16BrNO3S/c21-15-9-7-14(8-10-15)16-12-26-19(18(16)20(24)25)22-17(23)11-6-13-4-2-1-3-5-13/h1-5,7-10,12H,6,11H2,(H,22,23)(H,24,25)/p-1