2-(3,3-diphenylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: 2-(3,3-diphenylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: 2-(3,3-diphenylpropanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[(1-oxo-3,3-diphenylpropyl)amino]-3-thiophenecarboxylate IUPAC Name: 2-(3,3-diphenylpropanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(3,3-diphenylpropanoylamino)-4,5-dimethyl-3-thenoate Formula: C22H20NO3S- MolecularWeight: 378.4641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)[O-])NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)[O-])NC(=O)CC(C2=CC=CC=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C22H21NO3S/c1-14-15(2)27-21(20(14)22(25)26)23-19(24)13-18(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-12,18H,13H2,1-2H3,(H,23,24)(H,25,26)/p-1