4-(4-bromophenyl)-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylic acid

Systemtic Name: 4-(4-bromophenyl)-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylic acid Openeye Name: 4-(4-bromophenyl)-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylic acid CAS Name: 4-(4-bromophenyl)-2-[(1-oxo-3-phenylprop-2-enyl)amino]-3-thiophenecarboxylic acid IUPAC Name: 4-(4-bromophenyl)-2-(3-phenylprop-2-enoylamino)thiophene-3-carboxylic acid Traditional Name: 4-(4-bromophenyl)-2-cinnamamido-3-thenoic acid Formula: C20H14BrNO3S MolecularWeight: 428.29906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C=CC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Br)C(=O)O

InChI

InChI=1S/C20H14BrNO3S/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/h1-12H,(H,22,23)(H,24,25)