2-(2,2-dimethylpropanoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate

Systemtic Name: 2-(2,2-dimethylpropanoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Openeye Name: 2-(2,2-dimethylpropanoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate CAS Name: 2-[(2,2-dimethyl-1-oxopropyl)amino]-4-(4-phenylphenyl)-3-thiophenecarboxylate IUPAC Name: 2-(2,2-dimethylpropanoylamino)-4-(4-phenylphenyl)thiophene-3-carboxylate Traditional Name: 4-(4-phenylphenyl)-2-(pivaloylamino)-3-thenoate Formula: C22H20NO3S- MolecularWeight: 378.4641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=C(C(=CS1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C22H21NO3S/c1-22(2,3)21(26)23-19-18(20(24)25)17(13-27-19)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,26)(H,24,25)/p-1